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

Systemtic Name: 3-[[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(6-chloronicotinoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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