1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H33N3O3/c1-30-23-15-21-9-12-28(18-22(21)16-24(23)31-2)25(29)19-27-11-6-10-26(13-14-27)17-20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17-19H2,1-2H3