1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-7-methoxy-1-veratryl-isoquinoline-1-carbonitrile Formula: C34H30N2O5 MolecularWeight: 546.6124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(C3=C(C=CC(=C3OCC4=CC=CC=C4)OC)C=CN2C(=O)C5=CC=CC=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(C3=C(C=CC(=C3OCC4=CC=CC=C4)OC)C=CN2C(=O)C5=CC=CC=C5)C#N)OC

InChI

InChI=1S/C34H30N2O5/c1-38-28-16-14-25(20-30(28)40-3)21-34(23-35)31-26(18-19-36(34)33(37)27-12-8-5-9-13-27)15-17-29(39-2)32(31)41-22-24-10-6-4-7-11-24/h4-20H,21-22H2,1-3H3