6-[3-(azepan-1-yl)propanoyl]-3,5-diphenyl-cyclohex-2-en-1-one hydrochloride

Systemtic Name: 6-[3-(azepan-1-yl)propanoyl]-3,5-diphenyl-cyclohex-2-en-1-one hydrochloride Openeye Name: 6-[3-(azepan-1-yl)propanoyl]-3,5-diphenyl-cyclohex-2-en-1-one hydrochloride CAS Name: 6-[3-(1-azepanyl)-1-oxopropyl]-3,5-diphenyl-1-cyclohex-2-enone hydrochloride IUPAC Name: 6-[3-(azepan-1-yl)propanoyl]-3,5-diphenylcyclohex-2-en-1-one hydrochloride Traditional Name: 6-[3-(azepan-1-yl)propanoyl]-3,5-diphenyl-cyclohex-2-en-1-one hydrochloride Formula: C27H32ClNO2 MolecularWeight: 438.00148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2C(CC(=CC2=O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2C(CC(=CC2=O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H31NO2.ClH/c29-25(15-18-28-16-9-1-2-10-17-28)27-24(22-13-7-4-8-14-22)19-23(20-26(27)30)21-11-5-3-6-12-21;/h3-8,11-14,20,24,27H,1-2,9-10,15-19H2;1H