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

Systemtic Name: 4-[[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(6-fluoro-4-oxo-quinazolin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(6-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(6-fluoro-4-keto-quinazolin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22FN5O2/c24-19-6-7-21-20(12-19)23(31)29(16-26-21)15-22(30)28-9-1-8-27(10-11-28)14-18-4-2-17(13-25)3-5-18/h2-7,12,16H,1,8-11,14-15H2