4-[2-[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]-3-fluoro-benzonitrile CAS Name: 4-[2-[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]-3-fluorobenzonitrile IUPAC Name: 4-[2-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]-3-fluorobenzonitrile Traditional Name: 4-[2-[4-(3-chlorophenyl)-3-keto-piperazino]-2-(1H-imidazol-5-yl)ethyl]-3-fluoro-benzonitrile Formula: C22H19ClFN5O MolecularWeight: 423.870563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(CC2=C(C=C(C=C2)C#N)F)C3=CN=CN3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(=O)CN1C(CC2=C(C=C(C=C2)C#N)F)C3=CN=CN3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClFN5O/c23-17-2-1-3-18(10-17)29-7-6-28(13-22(29)30)21(20-12-26-14-27-20)9-16-5-4-15(11-25)8-19(16)24/h1-5,8,10,12,14,21H,6-7,9,13H2,(H,26,27)