[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate CAS Name: 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate Traditional Name: 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5)OCO2

InChI

InChI=1S/C24H21N3O6/c1-14(28)17-10-20-21(33-13-32-20)11-18(17)25-22(29)12-31-24(30)23-16-8-5-9-19(16)27(26-23)15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H,25,29)