1-[1-(azepan-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dichlorophenyl)ethanone

Systemtic Name: 1-[1-(azepan-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dichlorophenyl)ethanone Openeye Name: 1-[1-(azepan-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dichlorophenyl)ethanone CAS Name: 1-[1-(1-azepanylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dichlorophenyl)ethanone IUPAC Name: 1-[1-(azepan-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dichlorophenyl)ethanone Traditional Name: 1-[1-(azepan-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dichlorophenyl)ethanone Formula: C24H28Cl2N2O MolecularWeight: 431.39792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H28Cl2N2O/c25-21-10-9-18(15-22(21)26)16-24(29)28-14-11-19-7-3-4-8-20(19)23(28)17-27-12-5-1-2-6-13-27/h3-4,7-10,15,23H,1-2,5-6,11-14,16-17H2