3-(dimethylamino)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Openeye Name: 3-(dimethylamino)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]benzamide CAS Name: 3-(dimethylamino)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Traditional Name: 3-(dimethylamino)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]benzamide Formula: C27H29N7O MolecularWeight: 467.56546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)N(C)C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)N(C)C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H29N7O/c1-19-16-25(33-12-14-34(15-13-33)27-28-10-5-11-29-27)31-24-9-8-21(18-23(19)24)30-26(35)20-6-4-7-22(17-20)32(2)3/h4-11,16-18H,12-15H2,1-3H3,(H,30,35)