3-chloranyl-11-[6-(cyclohexylamino)hexanoyl]-5-methyl-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[6-(cyclohexylamino)hexanoyl]-5-methyl-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(cyclohexylamino)hexanoyl]-5-methyl-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[6-(cyclohexylamino)-1-oxohexyl]-5-methyl-6-benzo[b][1,4]benzodiazepinone IUPAC Name: 3-chloro-11-[6-(cyclohexylamino)hexanoyl]-5-methylbenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(cyclohexylamino)hexanoyl]-5-methyl-benzo[b][1,4]benzodiazepin-6-one Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)N(C3=CC=CC=C3C1=O)C(=O)CCCCCNC4CCCCC4

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)N(C3=CC=CC=C3C1=O)C(=O)CCCCCNC4CCCCC4

InChI

InChI=1S/C26H32ClN3O2/c1-29-24-18-19(27)15-16-23(24)30(22-13-8-7-12-21(22)26(29)32)25(31)14-6-3-9-17-28-20-10-4-2-5-11-20/h7-8,12-13,15-16,18,20,28H,2-6,9-11,14,17H2,1H3