3-[[4-(2-hydroxyethyl)-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-hydroxyethyl)-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-hydroxyethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-hydroxyethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-hydroxyethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-hydroxyethyl)-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCO)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CCO)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H19N3O2/c16-11-13-2-1-3-14(10-13)12-17-5-4-15(20)18(7-6-17)8-9-19/h1-3,10,19H,4-9,12H2