[6-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [6-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-6-fluoro-3-quinolyl]-(4-methoxyphenyl)methanone CAS Name: [6-fluoro-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)-6-fluoroquinolin-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-(4-benzylpiperazino)-6-fluoro-3-quinolyl]-(4-methoxyphenyl)methanone Formula: C28H26FN3O2 MolecularWeight: 455.523343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCN(CC4)CC5=CC=CC=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCN(CC4)CC5=CC=CC=C5)F

InChI

InChI=1S/C28H26FN3O2/c1-34-23-10-7-21(8-11-23)28(33)25-18-30-26-12-9-22(29)17-24(26)27(25)32-15-13-31(14-16-32)19-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3