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

Systemtic Name: 3-phenylpropyl 4-azanyl-5-fluoranyl-spiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate Openeye Name: 3-phenylpropyl 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-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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-phenylpropyl ester Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C22H25FN4O2/c23-17-9-4-10-18-19(17)20(24)26-22(25-18)11-13-27(14-12-22)21(28)29-15-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,25H,5,8,11-15H2,(H2,24,26)