5-[(2E)-7-methoxy-3,7,11-trimethyl-dodeca-2,10-dienyl]-11-methyl-1,3,10-tris(oxidanyl)benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 5-[(2E)-7-methoxy-3,7,11-trimethyl-dodeca-2,10-dienyl]-11-methyl-1,3,10-tris(oxidanyl)benzo[b][1,4]benzodiazepin-6-one Openeye Name: 1,3,10-trihydroxy-5-[(2E)-7-methoxy-3,7,11-trimethyl-dodeca-2,10-dienyl]-11-methyl-benzo[b][1,4]benzodiazepin-6-one CAS Name: 1,3,10-trihydroxy-5-[(2E)-7-methoxy-3,7,11-trimethyldodeca-2,10-dienyl]-11-methyl-6-benzo[b][1,4]benzodiazepinone IUPAC Name: 1,3,10-trihydroxy-5-[(2E)-7-methoxy-3,7,11-trimethyldodeca-2,10-dienyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one Traditional Name: 1,3,10-trihydroxy-5-[(2E)-7-methoxy-3,7,11-trimethyl-dodeca-2,10-dienyl]-11-methyl-benzo[b][1,4]benzodiazepin-6-one Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(CCCC(=CCN1C2=CC(=CC(=C2N(C3=C(C1=O)C=CC=C3O)C)O)O)C)OC)C

Isomeric SMILES

CC(=CCCC(C)(CCC/C(=C/CN1C2=CC(=CC(=C2N(C3=C(C1=O)C=CC=C3O)C)O)O)/C)OC)C

InChI

InChI=1S/C30H40N2O5/c1-20(2)10-8-15-30(4,37-6)16-9-11-21(3)14-17-32-24-18-22(33)19-26(35)28(24)31(5)27-23(29(32)36)12-7-13-25(27)34/h7,10,12-14,18-19,33-35H,8-9,11,15-17H2,1-6H3/b21-14+