methyl 2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)C(=O)OC)Br

InChI

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