6,7-dimethoxy-2-(phenylcarbonyl)-1-[(4-phenylmethoxyphenyl)methyl]isoquinoline-1-carbonitrile

Systemtic Name: 6,7-dimethoxy-2-(phenylcarbonyl)-1-[(4-phenylmethoxyphenyl)methyl]isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(4-benzyloxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-6,7-dimethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-6,7-dimethoxy-1-[(4-phenylmethoxyphenyl)methyl]isoquinoline-1-carbonitrile Traditional Name: 1-(4-benzoxybenzyl)-2-benzoyl-6,7-dimethoxy-isoquinoline-1-carbonitrile Formula: C33H28N2O4 MolecularWeight: 516.58642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)C(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)C(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C33H28N2O4/c1-37-30-19-27-17-18-35(32(36)26-11-7-4-8-12-26)33(23-34,29(27)20-31(30)38-2)21-24-13-15-28(16-14-24)39-22-25-9-5-3-6-10-25/h3-20H,21-22H2,1-2H3