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

Systemtic Name: 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]-6-fluoro-benzonitrile Formula: C21H17ClFN5O MolecularWeight: 409.843983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClFN5O/c22-20-19(14-25-28(21(20)29)15-5-2-1-3-6-15)27-11-9-26(10-12-27)18-8-4-7-17(23)16(18)13-24/h1-8,14H,9-12H2