2-[[4-[(3-cyanophenyl)methyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(3-cyanophenyl)methyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(3-cyanophenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(3-cyanophenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-[(3-cyanophenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3-cyanobenzyl)-7-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N4O/c22-13-17-4-3-5-18(12-17)15-24-9-8-21(26)25(11-10-24)16-20-7-2-1-6-19(20)14-23/h1-7,12H,8-11,15-16H2