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

Systemtic Name: 4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CO)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CO)CC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O2/c24-16-19(13-17-5-2-1-3-6-17)23-12-11-22(10-8-20(23)25)15-18-7-4-9-21-14-18/h1-7,9,14,19,24H,8,10-13,15-16H2/t19-/m0/s1