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

Systemtic Name: 3-[3-[4-[(6-chloranylpyridin-3-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-[(6-chloro-3-pyridyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-[(6-chloro-3-pyridinyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-[(6-chloropyridin-3-yl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-[(6-chloro-3-pyridyl)methyl]-5-keto-1,4-diazepan-1-yl]propoxy]benzonitrile Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CN=C(C=C2)Cl)CCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CN=C(C=C2)Cl)CCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23ClN4O2/c22-20-6-5-18(15-24-20)16-26-11-10-25(9-7-21(26)27)8-2-12-28-19-4-1-3-17(13-19)14-23/h1,3-6,13,15H,2,7-12,16H2