6-[4-(diethylamino)phenyl]-9-(3,4,5-trimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-[4-(diethylamino)phenyl]-9-(3,4,5-trimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-[4-(diethylamino)phenyl]-9-(3,4,5-trimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-[4-(diethylamino)phenyl]-9-(3,4,5-trimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-[4-(diethylamino)phenyl]-9-(3,4,5-trimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-[4-(diethylamino)phenyl]-9-(3,4,5-trimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C32H37N3O4 MolecularWeight: 527.65388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C32H37N3O4/c1-6-35(7-2)23-14-12-20(13-15-23)31-30-26(33-24-10-8-9-11-25(24)34-31)16-21(17-27(30)36)22-18-28(37-3)32(39-5)29(19-22)38-4/h8-16,18-19,21,30-31,33-34H,6-7,17H2,1-5H3