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

Systemtic Name: (6S,6aR)-2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aR)-2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aR)-2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aR)-2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aR)-6-(4-amoxyphenyl)-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=C(N2)C=C(C(=C4)C)C)(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)CC(C=C3NC4=C(N2)C=C(C(=C4)C)C)(C)C

InChI

InChI=1S/C28H36N2O2/c1-6-7-8-13-32-21-11-9-20(10-12-21)27-26-24(16-28(4,5)17-25(26)31)29-22-14-18(2)19(3)15-23(22)30-27/h9-12,14-16,26-27,29-30H,6-8,13,17H2,1-5H3/t26-,27-/m1/s1