1-hexanoyl-9,9-dimethyl-2-(phenylcarbonyl)-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 1-hexanoyl-9,9-dimethyl-2-(phenylcarbonyl)-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 2-benzoyl-1-hexanoyl-9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 2-benzoyl-9,9-dimethyl-1-(1-oxohexyl)-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 2-benzoyl-1-hexanoyl-9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 2-benzoyl-1-caproyl-9,9-dimethyl-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H30N2O3 MolecularWeight: 442.5494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=CC2=C1NC3=C(C=N2)C(=O)CC(C3)(C)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)C1=C(C=CC2=C1NC3=C(C=N2)C(=O)CC(C3)(C)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-4-5-7-12-23(31)25-19(27(33)18-10-8-6-9-11-18)13-14-21-26(25)30-22-15-28(2,3)16-24(32)20(22)17-29-21/h6,8-11,13-14,17,30H,4-5,7,12,15-16H2,1-3H3