4-[[4-(2-chloranylpyridin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-chloranylpyridin-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-chloropyridine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-4-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chloropyridine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chloroisonicotinoyl)piperazino]methyl]benzonitrile Formula: C18H17ClN4O MolecularWeight: 340.80678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C18H17ClN4O/c19-17-11-16(5-6-21-17)18(24)23-9-7-22(8-10-23)13-15-3-1-14(12-20)2-4-15/h1-6,11H,7-10,13H2