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

Systemtic Name: 3-[3-[5-oxidanylidene-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[5-oxo-4-(2-pyridylmethyl)-1,4-diazepan-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[5-oxo-4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]propoxy]benzonitrile IUPAC Name: 3-[3-[5-oxo-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[5-keto-4-(2-pyridylmethyl)-1,4-diazepan-1-yl]propoxy]benzonitrile Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=N2)CCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=N2)CCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H24N4O2/c22-16-18-5-3-7-20(15-18)27-14-4-10-24-11-8-21(26)25(13-12-24)17-19-6-1-2-9-23-19/h1-3,5-7,9,15H,4,8,10-14,17H2