3-(azepan-1-yl)-1-(3-chloranyl-4-cyclohexyl-phenyl)propan-1-one hydrochloride

Systemtic Name: 3-(azepan-1-yl)-1-(3-chloranyl-4-cyclohexyl-phenyl)propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(3-chloro-4-cyclohexyl-phenyl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(3-chloro-4-cyclohexylphenyl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(3-chloro-4-cyclohexylphenyl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(3-chloro-4-cyclohexyl-phenyl)propan-1-one hydrochloride Formula: C21H31Cl2NO MolecularWeight: 384.38294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC(=C(C=C2)C3CCCCC3)Cl.Cl

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC(=C(C=C2)C3CCCCC3)Cl.Cl

InChI

InChI=1S/C21H30ClNO.ClH/c22-20-16-18(10-11-19(20)17-8-4-3-5-9-17)21(24)12-15-23-13-6-1-2-7-14-23;/h10-11,16-17H,1-9,12-15H2;1H