N-[8-fluoranyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[8-fluoranyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-fluorophenyl)benzamide Openeye Name: 4-(4-fluorophenyl)-N-[8-fluoro-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-(4-fluorophenyl)-N-[8-fluoro-3-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-(4-fluorophenyl)-N-[8-fluoro-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-(4-fluorophenyl)-N-[8-fluoro-3-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C27H23F2N3O MolecularWeight: 443.487826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CN=C3C(=C2)C=CC(=C3F)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)CC2=CN=C3C(=C2)C=CC(=C3F)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23F2N3O/c28-23-10-7-20(8-11-23)19-3-5-21(6-4-19)27(33)31-24-12-9-22-15-18(16-30-26(22)25(24)29)17-32-13-1-2-14-32/h3-12,15-16H,1-2,13-14,17H2,(H,31,33)