N-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3/c1-17-7-9-19(10-8-17)24-21(15-28(27-24)14-18-5-3-2-4-6-18)25(29)26-20-11-12-22-23(13-20)31-16-30-22/h2-13,15H,14,16H2,1H3,(H,26,29)