[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-15-6-5-7-16(12-15)21-19(13-27(26-21)18-8-3-2-4-9-18)22(29)31-14-20(28)25-23(30)24-17-10-11-17/h2-9,12-13,17H,10-11,14H2,1H3,(H2,24,25,28,30)