1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]isonipecotamide Formula: C21H22N6O4 MolecularWeight: 422.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)N3CCC(CC3)C(=O)N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)N3CCC(CC3)C(=O)N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-24-9-3-6-18(24)17-13-19(21(29)25-10-7-14(8-11-25)20(22)28)26(23-17)15-4-2-5-16(12-15)27(30)31/h2-6,9,12-14H,7-8,10-11H2,1H3,(H2,22,28)