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

Systemtic Name: 2-chloranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]nicotinamide Formula: C24H22ClN7O MolecularWeight: 459.93078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN7O/c1-16-14-21(31-10-12-32(13-11-31)24-27-8-3-9-28-24)30-20-6-5-17(15-19(16)20)29-23(33)18-4-2-7-26-22(18)25/h2-9,14-15H,10-13H2,1H3,(H,29,33)