4-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonyl]piperazin-1-yl]-2-phenyl-butanenitrile hydrochloride

Systemtic Name: 4-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonyl]piperazin-1-yl]-2-phenyl-butanenitrile hydrochloride Openeye Name: 4-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenyl-butanenitrile hydrochloride CAS Name: 4-[4-[oxo-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1-piperazinyl]-2-phenylbutanenitrile hydrochloride IUPAC Name: 4-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylbutanenitrile hydrochloride Traditional Name: 4-[4-(2-keto-3,4-dihydro-1H-quinoline-6-carbonyl)piperazino]-2-phenyl-butyronitrile hydrochloride Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCC(C#N)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCC(C#N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H26N4O2.ClH/c25-17-21(18-4-2-1-3-5-18)10-11-27-12-14-28(15-13-27)24(30)20-6-8-22-19(16-20)7-9-23(29)26-22;/h1-6,8,16,21H,7,9-15H2,(H,26,29);1H