(6R,6aS,9R)-9-[4-(diethylamino)phenyl]-6-phenyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS,9R)-9-[4-(diethylamino)phenyl]-6-phenyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS,9R)-9-[4-(diethylamino)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS,9R)-9-[4-(diethylamino)phenyl]-6-phenyl-5-(2,2,2-trifluoro-1-oxoethyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS,9R)-9-[4-(diethylamino)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS,9R)-9-[4-(diethylamino)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C31H30F3N3O2 MolecularWeight: 533.58401

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2CC(=O)C3C(N(C4=CC=CC=C4NC3=C2)C(=O)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@@H]2CC(=O)[C@H]3[C@@H](N(C4=CC=CC=C4NC3=C2)C(=O)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C31H30F3N3O2/c1-3-36(4-2)23-16-14-20(15-17-23)22-18-25-28(27(38)19-22)29(21-10-6-5-7-11-21)37(30(39)31(32,33)34)26-13-9-8-12-24(26)35-25/h5-18,22,28-29,35H,3-4,19H2,1-2H3/t22-,28-,29-/m0/s1