2-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzenecarbonitrile

Systemtic Name: 2-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzenecarbonitrile Openeye Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile CAS Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile IUPAC Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzonitrile Traditional Name: 4-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)-2-methoxy-benzonitrile Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4N3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H15N3O2/c1-26-20-11-14(6-7-15(20)12-22)13-8-9-16-19(10-13)23-17-4-2-3-5-18(17)24-21(16)25/h2-11,23H,1H3,(H,24,25)