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

Systemtic Name: 3-phenoxypropyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: 3-phenoxypropyl 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 3-phenoxypropyl ester IUPAC Name: 3-phenoxypropyl 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 3-phenoxypropyl ester Formula: C22H25FN4O3 MolecularWeight: 412.457303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCCOC4=CC=CC=C4

InChI

InChI=1S/C22H25FN4O3/c23-17-8-4-9-18-19(17)20(24)26-22(25-18)10-12-27(13-11-22)21(28)30-15-5-14-29-16-6-2-1-3-7-16/h1-4,6-9,25H,5,10-15H2,(H2,24,26)