methyl 2-[[4-[(4-chlorophenyl)carbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[(4-chlorophenyl)carbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(4-chlorophenyl)carbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(4-chloroanilino)-oxomethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chlorophenyl)carbamoylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(4-chlorophenyl)carbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-13-19(24-21(28)23-17-10-8-16(22)9-11-17)14(2)26(25-13)12-15-6-4-5-7-18(15)20(27)29-3/h4-11H,12H2,1-3H3,(H2,23,24,28)