4-(cyanomethyl)-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile

Systemtic Name: 4-(cyanomethyl)-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile Openeye Name: 1-benzyl-4-(cyanomethyl)-4,5-dihydroazepine-3-carbonitrile CAS Name: 4-(cyanomethyl)-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile IUPAC Name: 1-benzyl-4-(cyanomethyl)-4,5-dihydroazepine-3-carbonitrile Traditional Name: 1-benzyl-4-(cyanomethyl)-4,5-dihydroazepine-3-carbonitrile Formula: C16H15N3 MolecularWeight: 249.3104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C=C(C1CC#N)C#N)CC2=CC=CC=C2

Isomeric SMILES

C1C=CN(C=C(C1CC#N)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H15N3/c17-9-8-15-7-4-10-19(13-16(15)11-18)12-14-5-2-1-3-6-14/h1-6,10,13,15H,7-8,12H2