methyl 4-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoate

Systemtic Name: methyl 4-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoate Openeye Name: methyl 4-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoate CAS Name: 4-[3-tert-butyl-5-[[(4-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoate Traditional Name: 4-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoic acid methyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23ClN4O3/c1-22(2,3)18-13-19(25-21(29)24-16-9-7-15(23)8-10-16)27(26-18)17-11-5-14(6-12-17)20(28)30-4/h5-13H,1-4H3,(H2,24,25,29)