N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-piperonyl-pyrazole-3-carboxamide Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

InChI

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