7-methoxy-1-[(2-methoxyphenyl)methyl]-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 7-methoxy-1-[(2-methoxyphenyl)methyl]-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-7-methoxy-1-[(2-methoxyphenyl)methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-7-methoxy-1-[(2-methoxyphenyl)methyl]-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-7-methoxy-1-[(2-methoxyphenyl)methyl]-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-7-methoxy-1-o-anisyl-isoquinoline-1-carbonitrile Formula: C33H28N2O4 MolecularWeight: 516.58642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC=CC=C3OC)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC=CC=C3OC)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

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