4-[3-cyano-6,7-bis(fluoranyl)quinolin-2-yl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-cyano-6,7-bis(fluoranyl)quinolin-2-yl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6,7-difluoro-2-quinolyl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6,7-difluoro-2-quinolinyl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6,7-difluoroquinolin-2-yl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6,7-difluoro-2-quinolyl)-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C24H23F2N5O2 MolecularWeight: 451.468526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C=C3C#N)F)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C=C3C#N)F)F

InChI

InChI=1S/C24H23F2N5O2/c1-2-33-22-7-4-3-6-20(22)29-24(32)31-9-5-8-30(10-11-31)23-17(15-27)12-16-13-18(25)19(26)14-21(16)28-23/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,29,32)