7-oxidanylidene-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile

Systemtic Name: 7-oxidanylidene-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile Openeye Name: 7-oxo-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile CAS Name: 7-oxo-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile IUPAC Name: 7-oxo-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile Traditional Name: 7-keto-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile Formula: C15H17N3O MolecularWeight: 255.31498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)NC1)NCCC2=CC=CC=C2)C#N

Isomeric SMILES

C1CC(=C(C(=O)NC1)NCCC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H17N3O/c16-11-13-7-4-9-18-15(19)14(13)17-10-8-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-10H2,(H,18,19)