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

Systemtic Name: 4-[2-[4-[3,5-bis(fluoranyl)phenyl]-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(3,5-difluorophenyl)-3-oxo-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[4-(3,5-difluorophenyl)-3-oxo-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[4-(3,5-difluorophenyl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-(3,5-difluorophenyl)-3-keto-piperazino]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C22H19F2N5O MolecularWeight: 407.415966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F2N5O/c23-17-8-18(24)10-19(9-17)29-6-5-28(13-22(29)30)21(20-12-26-14-27-20)7-15-1-3-16(11-25)4-2-15/h1-4,8-10,12,14,21H,5-7,13H2,(H,26,27)