[2-(4-methylpiperazin-1-yl)-4-phenyl-quinolin-3-yl]methyl benzoate

Systemtic Name: [2-(4-methylpiperazin-1-yl)-4-phenyl-quinolin-3-yl]methyl benzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-4-phenyl-3-quinolyl]methyl benzoate CAS Name: benzoic acid [2-(4-methyl-1-piperazinyl)-4-phenyl-3-quinolinyl]methyl ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]methyl benzoate Traditional Name: benzoic acid [2-(4-methylpiperazino)-4-phenyl-3-quinolyl]methyl ester Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2COC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2COC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3