(E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-3-yl]-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-3-yl]-N-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-nitro-4-(1-piperidyl)phenyl]pyrrol-3-yl]-N-(p-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-3-pyrrolyl]-N-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]-N-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidino-phenyl)pyrrol-3-yl]-N-(p-tolyl)acrylamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C)/C#N

InChI

InChI=1S/C28H29N5O3/c1-19-7-9-24(10-8-19)30-28(34)23(18-29)16-22-15-20(2)32(21(22)3)25-11-12-26(27(17-25)33(35)36)31-13-5-4-6-14-31/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,30,34)/b23-16+