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

Systemtic Name: 4-(4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonyl-2-methyl-benzenecarbonitrile Openeye Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-2-methyl-benzonitrile CAS Name: 4-[(4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]yl)-oxomethyl]-2-methylbenzonitrile IUPAC Name: 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-2-methylbenzonitrile Traditional Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-2-methyl-benzonitrile Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)NC4=C(C(=CC=C4)F)C(=N3)N)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)NC4=C(C(=CC=C4)F)C(=N3)N)C#N

InChI

InChI=1S/C21H20FN5O/c1-13-11-14(5-6-15(13)12-23)20(28)27-9-7-21(8-10-27)25-17-4-2-3-16(22)18(17)19(24)26-21/h2-6,11,25H,7-10H2,1H3,(H2,24,26)