1-heptyl-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one

Systemtic Name: 1-heptyl-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-heptyl-1,4-diazepan-5-one CAS Name: 1-heptyl-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-heptyl-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-heptyl-1,4-diazepan-5-one Formula: C21H34N2O2 MolecularWeight: 346.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CO

Isomeric SMILES

CCCCCCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C21H34N2O2/c1-2-3-4-5-9-13-22-14-12-21(25)23(16-15-22)20(18-24)17-19-10-7-6-8-11-19/h6-8,10-11,20,24H,2-5,9,12-18H2,1H3/t20-/m0/s1