(6R,6aS)-5-hexanoyl-9,9-dimethyl-6-(3-phenylmethoxyphenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS)-5-hexanoyl-9,9-dimethyl-6-(3-phenylmethoxyphenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS)-6-(3-benzyloxyphenyl)-5-hexanoyl-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS)-9,9-dimethyl-5-(1-oxohexyl)-6-(3-phenylmethoxyphenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS)-5-hexanoyl-9,9-dimethyl-6-(3-phenylmethoxyphenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS)-6-(3-benzoxyphenyl)-5-caproyl-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C34H38N2O3 MolecularWeight: 522.67712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCC(=O)N1[C@H]([C@@H]2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H38N2O3/c1-4-5-7-19-31(38)36-29-18-11-10-17-27(29)35-28-21-34(2,3)22-30(37)32(28)33(36)25-15-12-16-26(20-25)39-23-24-13-8-6-9-14-24/h6,8-18,20-21,32-33,35H,4-5,7,19,22-23H2,1-3H3/t32-,33-/m0/s1