ethyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoylamino]benzoate Openeye Name: ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoylamino]benzoate CAS Name: 3-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoylamino]benzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoylamino]benzoic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N4O4/c1-4-29-20(27)15-9-8-10-16(13-15)22-21(28)23-18-14(2)24(3)25(19(18)26)17-11-6-5-7-12-17/h5-13H,4H2,1-3H3,(H2,22,23,28)