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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O5/c1-30-20-10-8-16(12-22(20)31-2)19-14-28(18-6-4-3-5-7-18)27-24(19)25(29)26-17-9-11-21-23(13-17)33-15-32-21/h3-14H,15H2,1-2H3,(H,26,29)