5-chloranyl-7-[(S)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[(S)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-p-tolyl-[4-(2-pyridyl)piperazin-1-yl]methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-(4-methylphenyl)-[4-(2-pyridinyl)-1-piperazinyl]methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(S)-p-tolyl-[4-(2-pyridyl)piperazino]methyl]quinolin-8-olate Formula: C26H24ClN4O- MolecularWeight: 443.94796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2[O-])Cl)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC(=C3C=CC=NC3=C2[O-])Cl)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H25ClN4O/c1-18-7-9-19(10-8-18)25(21-17-22(27)20-5-4-12-29-24(20)26(21)32)31-15-13-30(14-16-31)23-6-2-3-11-28-23/h2-12,17,25,32H,13-16H2,1H3/p-1/t25-/m0/s1