ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(3-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[(3-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C20H19BrClN3O3 MolecularWeight: 464.74016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H19BrClN3O3/c1-3-28-18(26)20(2)12-25(19(27)23-16-6-4-5-14(21)11-16)24-17(20)13-7-9-15(22)10-8-13/h4-11H,3,12H2,1-2H3,(H,23,27)