methyl 1-[C,N-bis(4-methylphenyl)carbonimidoyl]-5-(4-chlorophenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-[C,N-bis(4-methylphenyl)carbonimidoyl]-5-(4-chlorophenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-[C,N-bis(p-tolyl)carbonimidoyl]-5-(4-chlorophenyl)pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-[(4-methylphenyl)-(4-methylphenyl)iminomethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[C,N-bis(4-methylphenyl)carbonimidoyl]-5-(4-chlorophenyl)pyrazole-3-carboxylate Traditional Name: 1-[C,N-bis(p-tolyl)carbonimidoyl]-5-(4-chlorophenyl)pyrazole-3-carboxylic acid methyl ester Formula: C26H22ClN3O2 MolecularWeight: 443.92478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C)N3C(=CC(=N3)C(=O)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C)N3C(=CC(=N3)C(=O)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O2/c1-17-4-8-20(9-5-17)25(28-22-14-6-18(2)7-15-22)30-24(16-23(29-30)26(31)32-3)19-10-12-21(27)13-11-19/h4-16H,1-3H3