1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-(3,4-dimethoxy-2-nitro-benzyl)isoquinoline-1-carbonitrile Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C26H21N3O5/c1-33-22-13-12-20(23(29(31)32)24(22)34-2)16-26(17-27)21-11-7-6-8-18(21)14-15-28(26)25(30)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3