N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-piperonylamide Formula: C22H15N5O3 MolecularWeight: 397.3862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H15N5O3/c1-13-8-20(25-17-5-3-2-4-16(13)17)27-21(15(10-23)11-24-27)26-22(28)14-6-7-18-19(9-14)30-12-29-18/h2-9,11H,12H2,1H3,(H,26,28)