(6R,6aR,9S)-6-(4-fluorophenyl)-5-hexanoyl-3-methyl-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aR,9S)-6-(4-fluorophenyl)-5-hexanoyl-3-methyl-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aR,9S)-6-(4-fluorophenyl)-5-hexanoyl-3-methyl-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aR,9S)-6-(4-fluorophenyl)-3-methyl-5-(1-oxohexyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aR,9S)-6-(4-fluorophenyl)-5-hexanoyl-3-methyl-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aR,9S)-5-caproyl-6-(4-fluorophenyl)-3-methyl-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C32H33FN2O2 MolecularWeight: 496.615023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(C2C(=O)CC(C=C2NC3=C1C=C(C=C3)C)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCCC(=O)N1[C@H]([C@H]2C(=O)C[C@@H](C=C2NC3=C1C=C(C=C3)C)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H33FN2O2/c1-3-4-6-11-30(37)35-28-18-21(2)12-17-26(28)34-27-19-24(22-9-7-5-8-10-22)20-29(36)31(27)32(35)23-13-15-25(33)16-14-23/h5,7-10,12-19,24,31-32,34H,3-4,6,11,20H2,1-2H3/t24-,31-,32+/m1/s1