(6S,6aS)-6-(4-butoxy-3-methoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS)-6-(4-butoxy-3-methoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS)-6-(4-butoxy-3-methoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS)-6-(4-butoxy-3-methoxyphenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS)-6-(4-butoxy-3-methoxyphenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS)-6-(4-butoxy-3-methoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C3C(=O)CC(C=C3NC4=C(N2)C=C(C(=C4)C)C)(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2[C@@H]3C(=O)CC(C=C3NC4=C(N2)C=C(C(=C4)C)C)(C)C)OC

InChI

InChI=1S/C28H36N2O3/c1-7-8-11-33-24-10-9-19(14-25(24)32-6)27-26-22(15-28(4,5)16-23(26)31)29-20-12-17(2)18(3)13-21(20)30-27/h9-10,12-15,26-27,29-30H,7-8,11,16H2,1-6H3/t26-,27+/m0/s1