4-[[azanyl-(3-azanyl-2-oxidanyl-4-phenyl-butyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[azanyl-(3-azanyl-2-oxidanyl-4-phenyl-butyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[amino-(3-amino-2-hydroxy-4-phenyl-butyl)amino]methyl]benzonitrile CAS Name: 4-[[amino-(3-amino-2-hydroxy-4-phenylbutyl)amino]methyl]benzonitrile IUPAC Name: 4-[[amino-(3-amino-2-hydroxy-4-phenylbutyl)amino]methyl]benzonitrile Traditional Name: 4-[[amino-(3-amino-2-hydroxy-4-phenyl-butyl)amino]methyl]benzonitrile Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CN(CC2=CC=C(C=C2)C#N)N)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CN(CC2=CC=C(C=C2)C#N)N)O)N

InChI

InChI=1S/C18H22N4O/c19-11-15-6-8-16(9-7-15)12-22(21)13-18(23)17(20)10-14-4-2-1-3-5-14/h1-9,17-18,23H,10,12-13,20-21H2