2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]acetonitrile Formula: C16H16ClN5O MolecularWeight: 329.78414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC#N)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H16ClN5O/c17-15-14(21-10-8-20(7-6-18)9-11-21)12-19-22(16(15)23)13-4-2-1-3-5-13/h1-5,12H,7-11H2