N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-piperonylamide Formula: C26H24N6O3 MolecularWeight: 468.50716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C26H24N6O3/c1-17-13-24(31-9-11-32(12-10-31)26-27-7-2-8-28-26)30-21-5-4-19(15-20(17)21)29-25(33)18-3-6-22-23(14-18)35-16-34-22/h2-8,13-15H,9-12,16H2,1H3,(H,29,33)