1-benzofuran-2-ylmethyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

Systemtic Name: 1-benzofuran-2-ylmethyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: benzofuran-2-ylmethyl 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 2-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-2-ylmethyl 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 benzofuran-2-ylmethyl ester Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H21FN4O3/c23-16-5-3-6-17-19(16)20(24)26-22(25-17)8-10-27(11-9-22)21(28)29-13-15-12-14-4-1-2-7-18(14)30-15/h1-7,12,25H,8-11,13H2,(H2,24,26)