3-[[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(3S)-3-amino-2-oxo-azepan-1-yl]methyl]benzonitrile CAS Name: 3-[[(3S)-3-amino-2-oxo-1-azepanyl]methyl]benzonitrile IUPAC Name: 3-[[(3S)-3-amino-2-oxoazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[(3S)-3-amino-2-keto-azepan-1-yl]methyl]benzonitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)N)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H17N3O/c15-9-11-4-3-5-12(8-11)10-17-7-2-1-6-13(16)14(17)18/h3-5,8,13H,1-2,6-7,10,16H2/t13-/m0/s1