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

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] 4-tert-butylbenzoate Openeye Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]-8-quinolyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [5-chloro-7-[(4-methylpiperazino)methyl]-8-quinolyl] ester Formula: C26H30ClN3O2 MolecularWeight: 451.9883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2CN4CCN(CC4)C)Cl)C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2CN4CCN(CC4)C)Cl)C=CC=N3

InChI

InChI=1S/C26H30ClN3O2/c1-26(2,3)20-9-7-18(8-10-20)25(31)32-24-19(17-30-14-12-29(4)13-15-30)16-22(27)21-6-5-11-28-23(21)24/h5-11,16H,12-15,17H2,1-4H3