N-[6-fluoranyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methoxyphenyl)benzamide

Systemtic Name: N-[6-fluoranyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methoxyphenyl)benzamide Openeye Name: N-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]-4-(4-methoxyphenyl)benzamide CAS Name: N-[6-fluoro-3-(1-pyrrolidinylmethyl)-7-quinolinyl]-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[6-fluoro-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methoxyphenyl)benzamide Traditional Name: N-[6-fluoro-3-(pyrrolidinomethyl)-7-quinolyl]-4-(4-methoxyphenyl)benzamide Formula: C28H26FN3O2 MolecularWeight: 455.523343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3F)CN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3F)CN5CCCC5

InChI

InChI=1S/C28H26FN3O2/c1-34-24-10-8-21(9-11-24)20-4-6-22(7-5-20)28(33)31-27-16-26-23(15-25(27)29)14-19(17-30-26)18-32-12-2-3-13-32/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,33)