1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]isoquinoline

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]isoquinoline Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]isoquinoline CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[(4-phenyl-1-piperazinyl)methyl]isoquinoline IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]isoquinoline Traditional Name: 6,7-dimethoxy-4-[(4-phenylpiperazino)methyl]-1-veratryl-isoquinoline Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CN4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CN4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H35N3O4/c1-35-28-11-10-22(17-29(28)36-2)16-27-26-19-31(38-4)30(37-3)18-25(26)23(20-32-27)21-33-12-14-34(15-13-33)24-8-6-5-7-9-24/h5-11,17-20H,12-16,21H2,1-4H3