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

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] benzoate Openeye Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]-8-quinolyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [5-chloro-7-[(4-methylpiperazino)methyl]-8-quinolyl] ester Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2/c1-25-10-12-26(13-11-25)15-17-14-19(23)18-8-5-9-24-20(18)21(17)28-22(27)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3