N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

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