6-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]hexanenitrile

Systemtic Name: 6-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]hexanenitrile Openeye Name: 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)hexanenitrile CAS Name: 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)hexanenitrile IUPAC Name: 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)hexanenitrile Traditional Name: 6-(2,5-diketo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)hexanenitrile Formula: C15H17N3O2 MolecularWeight: 271.31438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CCCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CCCCCC#N

InChI

InChI=1S/C15H17N3O2/c16-10-6-2-1-3-9-13-15(20)17-12-8-5-4-7-11(12)14(19)18-13/h4-5,7-8,13H,1-3,6,9H2,(H,17,20)(H,18,19)