3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]propanenitrile

Systemtic Name: 3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]propanenitrile Openeye Name: 3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)propanenitrile CAS Name: 3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]propanenitrile IUPAC Name: 3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)propanenitrile Traditional Name: 3-(4-benzyl-7-keto-1,4-diazepan-1-yl)propionitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O/c16-8-4-9-18-12-11-17(10-7-15(18)19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7,9-13H2