(5-bromanyl-2-methoxy-phenyl)methyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate CAS Name: 4-amino-5-fluoro-1'-spiro[1H-quinazoline-2,4'-piperidine]carboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Traditional Name: 4-amino-5-fluoro-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C21H22BrFN4O3 MolecularWeight: 477.326783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)N2CCC3(CC2)NC4=C(C(=CC=C4)F)C(=N3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)N2CCC3(CC2)NC4=C(C(=CC=C4)F)C(=N3)N

InChI

InChI=1S/C21H22BrFN4O3/c1-29-17-6-5-14(22)11-13(17)12-30-20(28)27-9-7-21(8-10-27)25-16-4-2-3-15(23)18(16)19(24)26-21/h2-6,11,25H,7-10,12H2,1H3,(H2,24,26)