3-[5-azanyl-4-(1,3-benzodioxol-5-ylcarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-(1,3-benzodioxol-5-ylcarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-(1,3-benzodioxole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-(1,3-benzodioxole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-(5-amino-4-piperonyloyl-pyrazol-1-yl)-N-cyclopropyl-4-methyl-benzamide Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H20N4O4/c1-12-2-3-14(22(28)25-15-5-6-15)8-17(12)26-21(23)16(10-24-26)20(27)13-4-7-18-19(9-13)30-11-29-18/h2-4,7-10,15H,5-6,11,23H2,1H3,(H,25,28)