3-[[4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[5-keto-4-[(1S)-3-methyl-1-methylol-butyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C19H27N3O2 MolecularWeight: 329.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1CCN(CCC1=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H27N3O2/c1-15(2)10-18(14-23)22-9-8-21(7-6-19(22)24)13-17-5-3-4-16(11-17)12-20/h3-5,11,15,18,23H,6-10,13-14H2,1-2H3/t18-/m0/s1