9-(4-azanyl-3-methoxy-phenyl)-3-(2-oxidanylidenepyrrolidin-1-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 9-(4-azanyl-3-methoxy-phenyl)-3-(2-oxidanylidenepyrrolidin-1-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-(4-amino-3-methoxy-phenyl)-3-(2-oxopyrrolidin-1-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(4-amino-3-methoxyphenyl)-3-(2-oxo-1-pyrrolidinyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(4-amino-3-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-(4-amino-3-methoxy-phenyl)-3-(2-ketopyrrolidino)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C24H22N4O3 MolecularWeight: 414.45648

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=C(N3)C=CC(=C4)N5CCCC5=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)N5CCCC5=O)N

InChI

InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)