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

Systemtic Name: methyl 4-(4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonylbenzoate Openeye Name: methyl 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzoate CAS Name: 4-[(4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzoate Traditional Name: 4-(4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzoic acid methyl ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3/c1-29-20(28)14-7-5-13(6-8-14)19(27)26-11-9-21(10-12-26)24-16-4-2-3-15(22)17(16)18(23)25-21/h2-8,24H,9-12H2,1H3,(H2,23,25)