(4S)-1-[1-(4-bromophenyl)ethyl]-4-(3-oxidanylpropyl)-4-phenyl-1,3-diazepan-2-one

Systemtic Name: (4S)-1-[1-(4-bromophenyl)ethyl]-4-(3-oxidanylpropyl)-4-phenyl-1,3-diazepan-2-one Openeye Name: (4S)-1-[1-(4-bromophenyl)ethyl]-4-(3-hydroxypropyl)-4-phenyl-1,3-diazepan-2-one CAS Name: (4S)-1-[1-(4-bromophenyl)ethyl]-4-(3-hydroxypropyl)-4-phenyl-1,3-diazepan-2-one IUPAC Name: (4S)-1-[1-(4-bromophenyl)ethyl]-4-(3-hydroxypropyl)-4-phenyl-1,3-diazepan-2-one Traditional Name: (4S)-1-[1-(4-bromophenyl)ethyl]-4-(3-hydroxypropyl)-4-phenyl-1,3-diazepan-2-one Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)N2CCCC(NC2=O)(CCCO)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)N2CCC[C@](NC2=O)(CCCO)C3=CC=CC=C3

InChI

InChI=1S/C22H27BrN2O2/c1-17(18-9-11-20(23)12-10-18)25-15-5-13-22(14-6-16-26,24-21(25)27)19-7-3-2-4-8-19/h2-4,7-12,17,26H,5-6,13-16H2,1H3,(H,24,27)/t17?,22-/m0/s1