N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N6O3/c1-19-20(2)31(17-21-6-4-3-5-7-21)26(24(19)16-27)28-25(33)18-29-12-14-30(15-13-29)22-8-10-23(11-9-22)32(34)35/h3-11H,12-15,17-18H2,1-2H3,(H,28,33)