(6S,6aS)-6-(3-methoxy-4-phenylmethoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS)-6-(3-methoxy-4-phenylmethoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS)-6-(4-benzyloxy-3-methoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS)-6-(3-methoxy-4-phenylmethoxyphenyl)-2,3,9,9-tetramethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS)-6-(3-methoxy-4-phenylmethoxyphenyl)-2,3,9,9-tetramethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS)-6-(4-benzoxy-3-methoxy-phenyl)-2,3,9,9-tetramethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C3CC(CC(=O)C3C(N2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C3CC(CC(=O)[C@H]3[C@H](N2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)(C)C

InChI

InChI=1S/C31H34N2O3/c1-19-13-23-24(14-20(19)2)33-30(29-25(32-23)16-31(3,4)17-26(29)34)22-11-12-27(28(15-22)35-5)36-18-21-9-7-6-8-10-21/h6-15,29-30,33H,16-18H2,1-5H3/t29-,30+/m0/s1