(6S,6aS)-6-(3-butoxyphenyl)-9,9-dimethyl-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS)-6-(3-butoxyphenyl)-9,9-dimethyl-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS)-6-(3-butoxyphenyl)-9,9-dimethyl-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS)-6-(3-butoxyphenyl)-9,9-dimethyl-5-(1-oxopropyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS)-6-(3-butoxyphenyl)-9,9-dimethyl-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS)-6-(3-butoxyphenyl)-9,9-dimethyl-5-propionyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)CC)(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)[C@@H]2[C@@H]3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)CC)(C)C

InChI

InChI=1S/C28H34N2O3/c1-5-7-15-33-20-12-10-11-19(16-20)27-26-22(17-28(3,4)18-24(26)31)29-21-13-8-9-14-23(21)30(27)25(32)6-2/h8-14,16-17,26-27,29H,5-7,15,18H2,1-4H3/t26-,27+/m0/s1