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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-(4-nitrobenzyl)-1,4-diazepan-5-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CO)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c25-16-20(14-17-4-2-1-3-5-17)23-13-12-22(11-10-21(23)26)15-18-6-8-19(9-7-18)24(27)28/h1-9,20,25H,10-16H2/t20-/m0/s1