3-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazine-1-carbonyl]benzonitrile Formula: C22H18ClN5O2 MolecularWeight: 419.86362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O2/c23-20-19(15-25-28(22(20)30)18-7-2-1-3-8-18)26-9-11-27(12-10-26)21(29)17-6-4-5-16(13-17)14-24/h1-8,13,15H,9-12H2