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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C26H23N3O5/c1-31-21-10-8-18(12-23(21)32-2)25-20(15-29(28-25)14-17-6-4-3-5-7-17)26(30)27-19-9-11-22-24(13-19)34-16-33-22/h3-13,15H,14,16H2,1-2H3,(H,27,30)