4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 1-benzyl-4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-benzyl-4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1,4-diazepan-5-one Traditional Name: 1-benzyl-4-[(1S)-3-methyl-1-methylol-butyl]-1,4-diazepan-5-one Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-15(2)12-17(14-21)20-11-10-19(9-8-18(20)22)13-16-6-4-3-5-7-16/h3-7,15,17,21H,8-14H2,1-2H3/t17-/m0/s1