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

Systemtic Name: 7-methoxy-1-[(3-nitrophenyl)methyl]-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-7-methoxy-1-[(3-nitrophenyl)methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-7-methoxy-1-[(3-nitrophenyl)methyl]-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-7-methoxy-1-[(3-nitrophenyl)methyl]-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-7-methoxy-1-(3-nitrobenzyl)isoquinoline-1-carbonitrile Formula: C32H25N3O5 MolecularWeight: 531.558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC(=CC=C3)[N+](=O)[O-])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=C3)[N+](=O)[O-])C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H25N3O5/c1-39-28-16-15-25-17-18-34(31(36)26-12-6-3-7-13-26)32(22-33,20-24-11-8-14-27(19-24)35(37)38)29(25)30(28)40-21-23-9-4-2-5-10-23/h2-19H,20-21H2,1H3