1-[4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazino]ethanone Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CN4C

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CN4C

InChI

InChI=1S/C21H22N6O4/c1-15(28)24-9-11-25(12-10-24)21(29)20-14-18(19-7-4-8-23(19)2)22-26(20)16-5-3-6-17(13-16)27(30)31/h3-8,13-14H,9-12H2,1-2H3