ethyl 1-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-5-(o-tolyl)pyrazole-3-carboxylate CAS Name: 1-[4-[[cyclohexyl(methyl)amino]-oxomethyl]phenyl]-5-(2-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-5-(o-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2C)C3=CC=C(C=C3)C(=O)N(C)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2C)C3=CC=C(C=C3)C(=O)N(C)C4CCCCC4

InChI

InChI=1S/C27H31N3O3/c1-4-33-27(32)24-18-25(23-13-9-8-10-19(23)2)30(28-24)22-16-14-20(15-17-22)26(31)29(3)21-11-6-5-7-12-21/h8-10,13-18,21H,4-7,11-12H2,1-3H3