5-cyclohexyl-1-(2-oxidanylidenepropyl)-3H-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-(2-oxidanylidenepropyl)-3H-1,3,4-benzotriazepin-2-one Openeye Name: 1-acetonyl-5-cyclohexyl-3H-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-(2-oxopropyl)-3H-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-(2-oxopropyl)-3H-1,3,4-benzotriazepin-2-one Traditional Name: 1-acetonyl-5-cyclohexyl-3H-1,3,4-benzotriazepin-2-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC=CC=C2C(=NNC1=O)C3CCCCC3

Isomeric SMILES

CC(=O)CN1C2=CC=CC=C2C(=NNC1=O)C3CCCCC3

InChI

InChI=1S/C17H21N3O2/c1-12(21)11-20-15-10-6-5-9-14(15)16(18-19-17(20)22)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,22)