6,7-dimethoxy-2-[[1-(phenylmethyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[[1-(phenylmethyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(1-benzylazocan-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[[1-(phenylmethyl)-3-azocanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(1-benzylazocan-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(1-benzylazocan-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisocarbostyril Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H34N2O3/c1-30-24-15-22-12-14-28(26(29)23(22)16-25(24)31-2)19-21-11-7-4-8-13-27(18-21)17-20-9-5-3-6-10-20/h3,5-6,9-10,15-16,21H,4,7-8,11-14,17-19H2,1-2H3