4-(4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonyl-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonyl-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-2-fluoro-benzonitrile CAS Name: 4-[(4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]yl)-oxomethyl]-2-fluorobenzonitrile IUPAC Name: 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-2-fluorobenzonitrile Traditional Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-2-fluoro-benzonitrile Formula: C20H17F2N5O MolecularWeight: 381.378686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C20H17F2N5O/c21-14-2-1-3-16-17(14)18(24)26-20(25-16)6-8-27(9-7-20)19(28)12-4-5-13(11-23)15(22)10-12/h1-5,10,25H,6-9H2,(H2,24,26)