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

Systemtic Name: 5-bromanyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]nicotinamide Formula: C24H22BrN7O MolecularWeight: 504.38178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN7O/c1-16-11-22(31-7-9-32(10-8-31)24-27-5-2-6-28-24)30-21-4-3-19(13-20(16)21)29-23(33)17-12-18(25)15-26-14-17/h2-6,11-15H,7-10H2,1H3,(H,29,33)