ethyl 1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(4-chloroanilino)-oxomethyl]amino]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN4O3/c1-4-29-20(27)19-13(2)25-26(14(19)3)18-11-9-17(10-12-18)24-21(28)23-16-7-5-15(22)6-8-16/h5-12H,4H2,1-3H3,(H2,23,24,28)