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

Systemtic Name: methyl 4-[5-[3-(4-methylpiperazin-1-yl)propyl]quinolin-8-yl]benzoate Openeye Name: methyl 4-[5-[3-(4-methylpiperazin-1-yl)propyl]-8-quinolyl]benzoate CAS Name: 4-[5-[3-(4-methyl-1-piperazinyl)propyl]-8-quinolinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[3-(4-methylpiperazin-1-yl)propyl]quinolin-8-yl]benzoate Traditional Name: 4-[5-[3-(4-methylpiperazino)propyl]-8-quinolyl]benzoic acid methyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CCCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H29N3O2/c1-27-15-17-28(18-16-27)14-4-5-19-11-12-23(24-22(19)6-3-13-26-24)20-7-9-21(10-8-20)25(29)30-2/h3,6-13H,4-5,14-18H2,1-2H3