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

Systemtic Name: ethyl 4-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27N5O5 MolecularWeight: 477.51238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O5/c1-4-35-25(32)28-12-10-27(11-13-28)24(31)23-16-22(19-9-8-17(2)18(3)14-19)26-29(23)20-6-5-7-21(15-20)30(33)34/h5-9,14-16H,4,10-13H2,1-3H3