1-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]azepan-2-one

Systemtic Name: 1-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]azepan-2-one Openeye Name: 1-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]azepan-2-one CAS Name: 1-[(1S)-1-(1-benzotriazolyl)-2-methylpropyl]-2-azepanone IUPAC Name: 1-[(1S)-1-(benzotriazol-1-yl)-2-methylpropyl]azepan-2-one Traditional Name: 1-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]azepan-2-one Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(N1CCCCCC1=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@@H](N1CCCCCC1=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H22N4O/c1-12(2)16(19-11-7-3-4-10-15(19)21)20-14-9-6-5-8-13(14)17-18-20/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3/t16-/m0/s1