[3-butyl-3-(3,4-dichlorophenyl)azepan-1-yl]-phenyl-methanone

Systemtic Name: [3-butyl-3-(3,4-dichlorophenyl)azepan-1-yl]-phenyl-methanone Openeye Name: [3-butyl-3-(3,4-dichlorophenyl)azepan-1-yl]-phenyl-methanone CAS Name: [3-butyl-3-(3,4-dichlorophenyl)-1-azepanyl]-phenylmethanone IUPAC Name: [3-butyl-3-(3,4-dichlorophenyl)azepan-1-yl]-phenylmethanone Traditional Name: [3-butyl-3-(3,4-dichlorophenyl)azepan-1-yl]-phenyl-methanone Formula: C23H27Cl2NO MolecularWeight: 404.37258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCN(C1)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCC1(CCCCN(C1)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H27Cl2NO/c1-2-3-13-23(19-11-12-20(24)21(25)16-19)14-7-8-15-26(17-23)22(27)18-9-5-4-6-10-18/h4-6,9-12,16H,2-3,7-8,13-15,17H2,1H3