4-[[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(6-fluoro-4-oxo-quinazolin-3-yl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(6-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(6-fluoro-4-keto-quinazolin-3-yl)acetyl]piperazino]methyl]benzonitrile Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C22H20FN5O2/c23-18-5-6-20-19(11-18)22(30)28(15-25-20)14-21(29)27-9-7-26(8-10-27)13-17-3-1-16(12-24)2-4-17/h1-6,11,15H,7-10,13-14H2