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

Systemtic Name: [2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (1-benzyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-benzyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O3/c1-18-16-23(19(2)27(18)17-20-6-4-3-5-7-20)24(29)26-14-12-25(13-15-26)21-8-10-22(11-9-21)28(30)31/h3-11,16H,12-15,17H2,1-2H3