3-[(2-oxidanylideneazepan-3-yl)-phenyl-amino]propanenitrile

Systemtic Name: 3-[(2-oxidanylideneazepan-3-yl)-phenyl-amino]propanenitrile Openeye Name: 3-(N-(2-oxoazepan-3-yl)anilino)propanenitrile CAS Name: 3-(N-(2-oxo-3-azepanyl)anilino)propanenitrile IUPAC Name: 3-(N-(2-oxoazepan-3-yl)anilino)propanenitrile Traditional Name: 3-(N-(2-ketoazepan-3-yl)anilino)propionitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCC#N)C2=CC=CC=C2

InChI

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