4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid Openeye Name: 4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid CAS Name: 4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-10-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid Traditional Name: 4-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2NC4=CC=CC=C4NC3=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2NC4=CC=CC=C4NC3=O)C(=O)O

InChI

InChI=1S/C18H18N4O3/c23-17-12-4-3-7-15(21-8-10-22(11-9-21)18(24)25)16(12)19-13-5-1-2-6-14(13)20-17/h1-7,19H,8-11H2,(H,20,23)(H,24,25)