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

Systemtic Name: 2-fluoranyl-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methylsulfanylphenyl)benzamide Openeye Name: 2-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]-4-(4-methylsulfanylphenyl)benzamide CAS Name: 2-fluoro-N-[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]-4-[4-(methylthio)phenyl]benzamide IUPAC Name: 2-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methylsulfanylphenyl)benzamide Traditional Name: 2-fluoro-N-[8-methyl-3-(pyrrolidinomethyl)-7-quinolyl]-4-[4-(methylthio)phenyl]benzamide Formula: C29H28FN3OS MolecularWeight: 485.615523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC(=CN=C12)CN3CCCC3)NC(=O)C4=C(C=C(C=C4)C5=CC=C(C=C5)SC)F

Isomeric SMILES

CC1=C(C=CC2=CC(=CN=C12)CN3CCCC3)NC(=O)C4=C(C=C(C=C4)C5=CC=C(C=C5)SC)F

InChI

InChI=1S/C29H28FN3OS/c1-19-27(12-8-23-15-20(17-31-28(19)23)18-33-13-3-4-14-33)32-29(34)25-11-7-22(16-26(25)30)21-5-9-24(35-2)10-6-21/h5-12,15-17H,3-4,13-14,18H2,1-2H3,(H,32,34)