ethyl 4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O5/c1-3-33-22(30)26-12-10-25(11-13-26)21(29)20-15-18(19-8-5-9-24(19)2)23-27(20)16-6-4-7-17(14-16)28(31)32/h4-9,14-15H,3,10-13H2,1-2H3