3-[[4-[(6-chloranylpyridin-3-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(6-chloranylpyridin-3-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(6-chloro-3-pyridyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(6-chloro-3-pyridinyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(6-chloropyridin-3-yl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(6-chloro-3-pyridyl)methyl]-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C19H19ClN4O MolecularWeight: 354.83336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CN=C(C=C2)Cl)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CN=C(C=C2)Cl)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19ClN4O/c20-18-5-4-17(12-22-18)14-24-9-8-23(7-6-19(24)25)13-16-3-1-2-15(10-16)11-21/h1-5,10,12H,6-9,13-14H2