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

Systemtic Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-3-piperidyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-3-piperidinyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[(1-veratryl-3-piperidyl)methyl]-3,4-dihydroisocarbostyril Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC)OC

InChI

InChI=1S/C26H34N2O5/c1-30-22-8-7-18(12-23(22)31-2)15-27-10-5-6-19(16-27)17-28-11-9-20-13-24(32-3)25(33-4)14-21(20)26(28)29/h7-8,12-14,19H,5-6,9-11,15-17H2,1-4H3