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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-piperonyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3/c1-18-7-10-21(11-8-18)25-22(16-29(28-25)15-19-5-3-2-4-6-19)26(30)27-14-20-9-12-23-24(13-20)32-17-31-23/h2-13,16H,14-15,17H2,1H3,(H,27,30)