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

Systemtic Name: 6-[4-(6-oxidanylidene-6-phenyl-hexyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one hydrate hydrochloride Openeye Name: 6-[4-(6-oxo-6-phenyl-hexyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one hydrate hydrochloride CAS Name: 6-[oxo-[4-(6-oxo-6-phenylhexyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-quinolin-2-one hydrate hydrochloride IUPAC Name: 6-[4-(6-oxo-6-phenylhexyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one hydrate hydrochloride Traditional Name: 6-[4-(6-keto-6-phenyl-hexyl)piperazine-1-carbonyl]-3,4-dihydrocarbostyril hydrate hydrochloride Formula: C26H34ClN3O4 MolecularWeight: 488.01886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCCCCC(=O)C4=CC=CC=C4.O.Cl

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCCCCC(=O)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C26H31N3O3.ClH.H2O/c30-24(20-7-3-1-4-8-20)9-5-2-6-14-28-15-17-29(18-16-28)26(32)22-10-12-23-21(19-22)11-13-25(31)27-23;;/h1,3-4,7-8,10,12,19H,2,5-6,9,11,13-18H2,(H,27,31);1H;1H2