methyl 5-(4-chlorophenyl)-1-(N-cyclohexyl-C-phenyl-carbonimidoyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-1-(N-cyclohexyl-C-phenyl-carbonimidoyl)pyrazole-3-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-1-(N-cyclohexyl-C-phenyl-carbonimidoyl)pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-[cyclohexylimino(phenyl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-1-(N-cyclohexyl-C-phenylcarbonimidoyl)pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(N-cyclohexyl-C-phenyl-carbonimidoyl)pyrazole-3-carboxylic acid methyl ester Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C(=NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C(=NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O2/c1-30-24(29)21-16-22(17-12-14-19(25)15-13-17)28(27-21)23(18-8-4-2-5-9-18)26-20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20H,3,6-7,10-11H2,1H3