2-cyano-3-[2-methyl-1-[(4-nitrophenyl)methyl]indol-3-yl]-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2-methyl-1-[(4-nitrophenyl)methyl]indol-3-yl]-N-(4-methylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-[2-methyl-1-[(4-nitrophenyl)methyl]indol-3-yl]-N-(p-tolyl)prop-2-enamide CAS Name: 2-cyano-3-[2-methyl-1-[(4-nitrophenyl)methyl]-3-indolyl]-N-(4-methylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-[2-methyl-1-[(4-nitrophenyl)methyl]indol-3-yl]-N-(4-methylphenyl)prop-2-enamide Traditional Name: 2-cyano-3-[2-methyl-1-(4-nitrobenzyl)indol-3-yl]-N-(p-tolyl)acrylamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C27H22N4O3/c1-18-7-11-22(12-8-18)29-27(32)21(16-28)15-25-19(2)30(26-6-4-3-5-24(25)26)17-20-9-13-23(14-10-20)31(33)34/h3-15H,17H2,1-2H3,(H,29,32)