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

Systemtic Name: [2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(2-nitrophenyl)piperazino]methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-17-15-20(18(2)27(17)16-19-7-5-6-10-24-19)23(29)26-13-11-25(12-14-26)21-8-3-4-9-22(21)28(30)31/h3-10,15H,11-14,16H2,1-2H3