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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2/c1-13-11-15(7-9-17(13)22)23-20(26)14-6-8-16-18(12-14)24-19-5-3-2-4-10-25(19)21(16)27/h6-9,11-12H,2-5,10H2,1H3,(H,23,26)