2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonyl]piperazin-1-yl]-5-phenyl-pentanenitrile hydrochloride

Systemtic Name: 2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonyl]piperazin-1-yl]-5-phenyl-pentanenitrile hydrochloride Openeye Name: 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-5-phenyl-pentanenitrile hydrochloride CAS Name: 2-[4-[oxo-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1-piperazinyl]-5-phenylpentanenitrile hydrochloride IUPAC Name: 2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-5-phenylpentanenitrile hydrochloride Traditional Name: 2-[4-(2-keto-3,4-dihydro-1H-quinoline-6-carbonyl)piperazino]-5-phenyl-valeronitrile hydrochloride Formula: C25H29ClN4O2 MolecularWeight: 452.97636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C(CCCC4=CC=CC=C4)C#N.Cl

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C(CCCC4=CC=CC=C4)C#N.Cl

InChI

InChI=1S/C25H28N4O2.ClH/c26-18-22(8-4-7-19-5-2-1-3-6-19)28-13-15-29(16-14-28)25(31)21-9-11-23-20(17-21)10-12-24(30)27-23;/h1-3,5-6,9,11,17,22H,4,7-8,10,12-16H2,(H,27,30);1H