N-(2-fluoranyl-4-methyl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(2-fluoro-4-methyl-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-fluoro-4-methylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(2-fluoro-4-methyl-phenyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H20FN3O2 MolecularWeight: 365.400803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)F

InChI

InChI=1S/C21H20FN3O2/c1-13-6-9-17(16(22)11-13)24-20(26)14-7-8-15-18(12-14)23-19-5-3-2-4-10-25(19)21(15)27/h6-9,11-12H,2-5,10H2,1H3,(H,24,26)