9-(5-pyridin-4-yl-1H-imidazol-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 9-(5-pyridin-4-yl-1H-imidazol-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-[5-(4-pyridyl)-1H-imidazol-2-yl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(5-pyridin-4-yl-1H-imidazol-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(5-pyridin-4-yl-1H-imidazol-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-[5-(4-pyridyl)-1H-imidazol-2-yl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C21H15N5O MolecularWeight: 353.3767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(C=CC(=C3)C4=NC=C(N4)C5=CC=NC=C5)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(C=CC(=C3)C4=NC=C(N4)C5=CC=NC=C5)C(=O)N2

InChI

InChI=1S/C21H15N5O/c27-21-15-6-5-14(11-18(15)24-16-3-1-2-4-17(16)26-21)20-23-12-19(25-20)13-7-9-22-10-8-13/h1-12,24H,(H,23,25)(H,26,27)