ethyl 5-(3-chlorophenyl)-1-methyl-3-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-chlorophenyl)-1-methyl-3-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 3-(benzylcarbamoylamino)-5-(3-chlorophenyl)-1-methyl-pyrazole-4-carboxylate CAS Name: 5-(3-chlorophenyl)-1-methyl-3-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzylcarbamoylamino)-5-(3-chlorophenyl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(benzylcarbamoylamino)-5-(3-chlorophenyl)-1-methyl-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=C1NC(=O)NCC2=CC=CC=C2)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1NC(=O)NCC2=CC=CC=C2)C)C3=CC(=CC=C3)Cl

InChI

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