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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-nitro-4-(1-piperidyl)phenyl]pyrrol-3-yl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidino-phenyl)pyrrol-3-yl]-N-(2-thenyl)acrylamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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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=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NCC4=CC=CS4

InChI

InChI=1S/C26H27N5O3S/c1-18-13-20(14-21(16-27)26(32)28-17-23-7-6-12-35-23)19(2)30(18)22-8-9-24(25(15-22)31(33)34)29-10-4-3-5-11-29/h6-9,12-15H,3-5,10-11,17H2,1-2H3,(H,28,32)/b21-14+