9-(4-azanyl-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 9-(4-azanyl-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-(4-amino-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(4-amino-3-methoxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(4-amino-3-methoxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-(4-amino-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2/c1-25-19-11-13(7-9-15(19)21)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,21H2,1H3,(H,23,24)