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

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-yl] 4-bromanylbenzoate Openeye Name: [5-chloro-7-[(4-methylpiperazin-1-yl)methyl]-8-quinolyl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-chloro-7-[(4-methylpiperazino)methyl]-8-quinolyl] ester Formula: C22H21BrClN3O2 MolecularWeight: 474.77804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClN3O2/c1-26-9-11-27(12-10-26)14-16-13-19(24)18-3-2-8-25-20(18)21(16)29-22(28)15-4-6-17(23)7-5-15/h2-8,13H,9-12,14H2,1H3