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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)C=C(C#N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O3/c1-20-15-23(16-24(18-29)28(34)30-19-22-9-5-3-6-10-22)21(2)32(20)25-11-12-26(27(17-25)33(35)36)31-13-7-4-8-14-31/h3,5-6,9-12,15-17H,4,7-8,13-14,19H2,1-2H3,(H,30,34)/b24-16+