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

Systemtic Name: (6R,6aS,9R)-6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS,9R)-6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS,9R)-6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS,9R)-6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS,9R)-6-[4-(diethylamino)phenyl]-9-(4-fluorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C29H30FN3O MolecularWeight: 455.566403

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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)F

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)C[C@H](C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H30FN3O/c1-3-33(4-2)23-15-11-20(12-16-23)29-28-26(31-24-7-5-6-8-25(24)32-29)17-21(18-27(28)34)19-9-13-22(30)14-10-19/h5-17,21,28-29,31-32H,3-4,18H2,1-2H3/t21-,28-,29-/m0/s1