[5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] pyridine-3-carboxylate

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] pyridine-3-carboxylate Openeye Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]-8-quinolyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-chloro-7-[(4-methyl-1-piperazinyl)methyl]-8-quinolinyl] ester IUPAC Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [5-chloro-7-[(4-methylpiperazino)methyl]-8-quinolyl] ester Formula: C21H21ClN4O2 MolecularWeight: 396.87004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-25-8-10-26(11-9-25)14-16-12-18(22)17-5-3-7-24-19(17)20(16)28-21(27)15-4-2-6-23-13-15/h2-7,12-13H,8-11,14H2,1H3