4-bromanyl-2,6-bis(fluoranyl)-3-(pyrrolidin-1-ylmethyl)-N-quinolin-7-yl-benzamide

Systemtic Name: 4-bromanyl-2,6-bis(fluoranyl)-3-(pyrrolidin-1-ylmethyl)-N-quinolin-7-yl-benzamide Openeye Name: 4-bromo-2,6-difluoro-3-(pyrrolidin-1-ylmethyl)-N-(7-quinolyl)benzamide CAS Name: 4-bromo-2,6-difluoro-3-(1-pyrrolidinylmethyl)-N-(7-quinolinyl)benzamide IUPAC Name: 4-bromo-2,6-difluoro-3-(pyrrolidin-1-ylmethyl)-N-quinolin-7-ylbenzamide Traditional Name: 4-bromo-2,6-difluoro-3-(pyrrolidinomethyl)-N-(7-quinolyl)benzamide Formula: C21H18BrF2N3O MolecularWeight: 446.287926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=C(C(=C2F)C(=O)NC3=CC4=C(C=CC=N4)C=C3)F)Br

Isomeric SMILES

C1CCN(C1)CC2=C(C=C(C(=C2F)C(=O)NC3=CC4=C(C=CC=N4)C=C3)F)Br

InChI

InChI=1S/C21H18BrF2N3O/c22-16-11-17(23)19(20(24)15(16)12-27-8-1-2-9-27)21(28)26-14-6-5-13-4-3-7-25-18(13)10-14/h3-7,10-11H,1-2,8-9,12H2,(H,26,28)