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

Systemtic Name: 4-(4-chlorophenyl)-2-fluoranyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-(4-chlorophenyl)-2-fluoro-N-[3-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-(4-chlorophenyl)-2-fluoro-N-[3-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-(4-chlorophenyl)-2-fluoro-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-(4-chlorophenyl)-2-fluoro-N-[3-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C27H23ClFN3O MolecularWeight: 459.942423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CN=C3C=C(C=CC3=C2)NC(=O)C4=C(C=C(C=C4)C5=CC=C(C=C5)Cl)F

Isomeric SMILES

C1CCN(C1)CC2=CN=C3C=C(C=CC3=C2)NC(=O)C4=C(C=C(C=C4)C5=CC=C(C=C5)Cl)F

InChI

InChI=1S/C27H23ClFN3O/c28-22-7-3-19(4-8-22)20-6-10-24(25(29)14-20)27(33)31-23-9-5-21-13-18(16-30-26(21)15-23)17-32-11-1-2-12-32/h3-10,13-16H,1-2,11-12,17H2,(H,31,33)