1-[(4-nitrophenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[(4-nitrophenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(4-nitrophenyl)methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(4-nitrophenyl)methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(4-nitrophenyl)methyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-(4-nitrobenzyl)isoquinoline-1-carbonitrile Formula: C24H17N3O3 MolecularWeight: 395.41008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C24H17N3O3/c25-17-24(16-18-10-12-21(13-11-18)27(29)30)22-9-5-4-6-19(22)14-15-26(24)23(28)20-7-2-1-3-8-20/h1-15H,16H2