methyl 2-[(5-bromanyl-5-methyl-cyclohexa-1,3-dien-1-yl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

Systemtic Name: methyl 2-[(5-bromanyl-5-methyl-cyclohexa-1,3-dien-1-yl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: methyl 2-[(5-bromo-5-methyl-cyclohexa-1,3-dien-1-yl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[[(5-bromo-5-methyl-1-cyclohexa-1,3-dienyl)amino]-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-5-methylcyclohexa-1,3-dien-1-yl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[(5-bromo-5-methyl-cyclohexa-1,3-dien-1-yl)carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid methyl ester Formula: C20H21BrClN3O3 MolecularWeight: 466.75604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O3/c1-19(21)10-4-5-15(11-19)23-18(27)25-12-20(2,17(26)28-3)16(24-25)13-6-8-14(22)9-7-13/h4-10H,11-12H2,1-3H3,(H,23,27)