methyl 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]quinolin-8-yl]benzoate

Systemtic Name: methyl 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]quinolin-8-yl]benzoate Openeye Name: methyl 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-8-quinolyl]benzoate CAS Name: 4-[5-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-8-quinolinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinolin-8-yl]benzoate Traditional Name: 4-[5-[3-keto-3-(4-methylpiperazino)propyl]-8-quinolyl]benzoic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O3/c1-27-14-16-28(17-15-27)23(29)12-10-19-9-11-22(24-21(19)4-3-13-26-24)18-5-7-20(8-6-18)25(30)31-2/h3-9,11,13H,10,12,14-17H2,1-2H3