2-Benzoyl-1,2,3,6,7,11B-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one

C₁₉H₁₈N₂O₂CAS 54761-87-4306.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₈N₂O₂
Molar mass: 306.37 g/mol
Exact mass: 306.1368 Da
logP: 2.27Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

54761-87-4

SMILES

O=C(c1ccccc1)N1CC(=O)N2CCc3ccccc3C2C1

InChIKey

XEYCCEDRIDKXEV-UHFFFAOYSA-N

InChI

InChI=1S/C19H18N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h1-9,17H,10-13H2

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Names and synonyms

4 names

4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-benzoyl-1,2,3,6,7,11b-hexahydro-
S 77078
2-Benzoyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
2-Benzoyl-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one

Work with 2-Benzoyl-1,2,3,6,7,11B-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Praziquantel55268-74-163 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-342 % similar Benzoylpiperidine776-75-041 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-740 % similar 1-Benzoyl-4-piperidone24686-78-040 % similar Solifenacin242478-37-139 % similar N,N-Diethylbenzamide1696-17-938 % similar Benzoylpiperazine hydrochloride56227-55-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

C,C′-[Methylenebis(2,6-dimethyl-4,1-phenylene)] dicyanate101657-77-6

Elsewhere

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