4-[3,4-bis(fluoranyl)phenyl]-5-methyl-2-(pyrrolidin-1-ylmethyl)-N-quinolin-7-yl-benzamide

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-5-methyl-2-(pyrrolidin-1-ylmethyl)-N-quinolin-7-yl-benzamide Openeye Name: 4-(3,4-difluorophenyl)-5-methyl-2-(pyrrolidin-1-ylmethyl)-N-(7-quinolyl)benzamide CAS Name: 4-(3,4-difluorophenyl)-5-methyl-2-(1-pyrrolidinylmethyl)-N-(7-quinolinyl)benzamide IUPAC Name: 4-(3,4-difluorophenyl)-5-methyl-2-(pyrrolidin-1-ylmethyl)-N-quinolin-7-ylbenzamide Traditional Name: 4-(3,4-difluorophenyl)-5-methyl-2-(pyrrolidinomethyl)-N-(7-quinolyl)benzamide Formula: C28H25F2N3O MolecularWeight: 457.514406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=C(C=C2)F)F)CN3CCCC3)C(=O)NC4=CC5=C(C=CC=N5)C=C4

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2)F)F)CN3CCCC3)C(=O)NC4=CC5=C(C=CC=N5)C=C4

InChI

InChI=1S/C28H25F2N3O/c1-18-13-24(28(34)32-22-8-6-19-5-4-10-31-27(19)16-22)21(17-33-11-2-3-12-33)14-23(18)20-7-9-25(29)26(30)15-20/h4-10,13-16H,2-3,11-12,17H2,1H3,(H,32,34)