4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-6-ethoxy-quinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C25H24F3N5O2 MolecularWeight: 483.48557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H24F3N5O2/c1-2-35-19-8-9-21-17(15-19)14-18(16-29)23(30-21)32-10-5-11-33(13-12-32)24(34)31-22-7-4-3-6-20(22)25(26,27)28/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,31,34)