methyl 4-[[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-methyl-1-(m-tolylmethyl)pyrazol-3-yl]carbamoyl]benzoate CAS Name: 4-[[[5-methyl-1-[(3-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate Traditional Name: 4-[[5-methyl-1-(3-methylbenzyl)pyrazol-3-yl]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H21N3O3/c1-14-5-4-6-16(11-14)13-24-15(2)12-19(23-24)22-20(25)17-7-9-18(10-8-17)21(26)27-3/h4-12H,13H2,1-3H3,(H,22,23,25)