N'-(2-bromophenyl)carbonyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide

Systemtic Name: N'-(2-bromophenyl)carbonyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide Openeye Name: N'-(2-bromobenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide CAS Name: N'-[(2-bromophenyl)-oxomethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide IUPAC Name: N'-(2-bromobenzoyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide Traditional Name: N'-(2-bromobenzoyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbohydrazide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4Br)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4Br)C(=O)N2CC1

InChI

InChI=1S/C21H19BrN4O3/c22-16-7-4-3-6-14(16)20(28)25-24-19(27)13-9-10-15-17(12-13)23-18-8-2-1-5-11-26(18)21(15)29/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,24,27)(H,25,28)