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

Systemtic Name: 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]isonicotinonitrile Formula: C20H17ClN6O MolecularWeight: 392.84158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN6O/c21-19-17(14-24-27(20(19)28)16-4-2-1-3-5-16)25-8-10-26(11-9-25)18-12-15(13-22)6-7-23-18/h1-7,12,14H,8-11H2