3-[[5-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-oxo-4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[5-oxo-4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[5-oxo-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[5-keto-4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=N2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=N2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20N4O/c20-13-16-4-3-5-17(12-16)14-22-9-7-19(24)23(11-10-22)15-18-6-1-2-8-21-18/h1-6,8,12H,7,9-11,14-15H2