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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-30-20-9-5-8-18(12-20)24-21(15-28(27-24)14-17-6-3-2-4-7-17)25(29)26-19-10-11-22-23(13-19)32-16-31-22/h2-13,15H,14,16H2,1H3,(H,26,29)