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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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