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

Systemtic Name: [3-(3,4-dichlorophenyl)-3-(3-oxidanylpropyl)azepan-1-yl]-phenyl-methanone Openeye Name: [3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)azepan-1-yl]-phenyl-methanone CAS Name: [3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)-1-azepanyl]-phenylmethanone IUPAC Name: [3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)azepan-1-yl]-phenylmethanone Traditional Name: [3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)azepan-1-yl]-phenyl-methanone Formula: C22H25Cl2NO2 MolecularWeight: 406.3454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)(CCCO)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC(C1)(CCCO)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25Cl2NO2/c23-19-10-9-18(15-20(19)24)22(12-6-14-26)11-4-5-13-25(16-22)21(27)17-7-2-1-3-8-17/h1-3,7-10,15,26H,4-6,11-14,16H2