1-[(4-methoxy-2-nitro-phenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[(4-methoxy-2-nitro-phenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(4-methoxy-2-nitro-phenyl)methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(4-methoxy-2-nitrophenyl)methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(4-methoxy-2-nitrophenyl)methyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-(4-methoxy-2-nitro-benzyl)isoquinoline-1-carbonitrile Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O4/c1-32-21-12-11-20(23(15-21)28(30)31)16-25(17-26)22-10-6-5-7-18(22)13-14-27(25)24(29)19-8-3-2-4-9-19/h2-15H,16H2,1H3