1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-18-14-22(19(2)28(18)16-20-6-4-3-5-7-20)23(30)17-26-10-12-27(13-11-26)21-8-9-24(25-15-21)29(31)32/h3-9,14-15H,10-13,16-17H2,1-2H3