2-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)isoindole-1,3-dione Openeye Name: 2-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)isoindoline-1,3-dione CAS Name: 2-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)isoindole-1,3-dione Traditional Name: 2-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)isoindoline-1,3-quinone Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)N2CC1

InChI

InChI=1S/C21H17N3O3/c25-19-16-12-13(24-20(26)14-6-3-4-7-15(14)21(24)27)9-10-17(16)22-18-8-2-1-5-11-23(18)19/h3-4,6-7,9-10,12H,1-2,5,8,11H2