N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H18N4O3 MolecularWeight: 386.40332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCO4)N5C=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCO4)N5C=CC=C5

InChI

InChI=1S/C22H18N4O3/c1-15-5-4-6-17(11-15)26-22(25-9-2-3-10-25)18(13-23-26)21(27)24-16-7-8-19-20(12-16)29-14-28-19/h2-13H,14H2,1H3,(H,24,27)