2-[[2-(3-azanylpiperidin-1-yl)-6-fluoranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-6-fluoranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 2-[[2-(3-amino-1-piperidyl)-6-fluoro-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 2-[[2-(3-amino-1-piperidinyl)-6-fluoro-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-6-fluoro-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 2-[[2-(3-aminopiperidino)-6-fluoro-4-keto-quinazolin-3-yl]methyl]benzoic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=C(C=C(C=C3)F)C(=O)N2CC4=CC=CC=C4C(=O)O)N

Isomeric SMILES

C1CC(CN(C1)C2=NC3=C(C=C(C=C3)F)C(=O)N2CC4=CC=CC=C4C(=O)O)N

InChI

InChI=1S/C21H21FN4O3/c22-14-7-8-18-17(10-14)19(27)26(11-13-4-1-2-6-16(13)20(28)29)21(24-18)25-9-3-5-15(23)12-25/h1-2,4,6-8,10,15H,3,5,9,11-12,23H2,(H,28,29)