5-[9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nonyl]-1,3,10-tris(oxidanyl)-11H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 5-[9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nonyl]-1,3,10-tris(oxidanyl)-11H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 5-[9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nonyl]-1,3,10-trihydroxy-11H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 5-[9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethylnonyl]-1,3,10-trihydroxy-11H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 5-[9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnonyl]-1,3,10-trihydroxy-11H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 5-[9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nonyl]-1,3,10-trihydroxy-11H-benzo[b][1,4]benzodiazepin-6-one Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)CCN1C2=CC(=CC(=C2NC3=C(C1=O)C=CC=C3O)O)O)CCC4C(O4)(C)C

Isomeric SMILES

CC(CCCC(C)CCN1C2=CC(=CC(=C2NC3=C(C1=O)C=CC=C3O)O)O)CCC4C(O4)(C)C

InChI

InChI=1S/C28H38N2O5/c1-17(11-12-24-28(3,4)35-24)7-5-8-18(2)13-14-30-21-15-19(31)16-23(33)26(21)29-25-20(27(30)34)9-6-10-22(25)32/h6,9-10,15-18,24,29,31-33H,5,7-8,11-14H2,1-4H3