(E)-N-[1-(6,6-dimethyl-7-oxidanylidene-2,3-dihydro-1,4-diazepin-1-yl)ethyl]-12-oxidanyl-octadec-9-enamide

Systemtic Name: (E)-N-[1-(6,6-dimethyl-7-oxidanylidene-2,3-dihydro-1,4-diazepin-1-yl)ethyl]-12-oxidanyl-octadec-9-enamide Openeye Name: (E)-N-[1-(6,6-dimethyl-7-oxo-2,3-dihydro-1,4-diazepin-1-yl)ethyl]-12-hydroxy-octadec-9-enamide CAS Name: (E)-N-[1-(6,6-dimethyl-7-oxo-2,3-dihydro-1,4-diazepin-1-yl)ethyl]-12-hydroxy-9-octadecenamide IUPAC Name: (E)-N-[1-(6,6-dimethyl-7-oxo-2,3-dihydro-1,4-diazepin-1-yl)ethyl]-12-hydroxyoctadec-9-enamide Traditional Name: (E)-12-hydroxy-N-[1-(7-keto-6,6-dimethyl-2,3-dihydro-1,4-diazepin-1-yl)ethyl]octadec-9-enamide Formula: C27H49N3O3 MolecularWeight: 463.69626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NC(C)N1CCN=CC(C1=O)(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)NC(C)N1CCN=CC(C1=O)(C)C)O

InChI

InChI=1S/C27H49N3O3/c1-5-6-7-14-17-24(31)18-15-12-10-8-9-11-13-16-19-25(32)29-23(2)30-21-20-28-22-27(3,4)26(30)33/h12,15,22-24,31H,5-11,13-14,16-21H2,1-4H3,(H,29,32)/b15-12+