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

Systemtic Name: 2-[[2-[(3S)-3-azanylpiperidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide Openeye Name: 2-[[2-[(3S)-3-amino-1-piperidyl]-6-fluoro-4-oxo-quinazolin-3-yl]methyl]benzamide CAS Name: 2-[[2-[(3S)-3-amino-1-piperidinyl]-6-fluoro-4-oxo-3-quinazolinyl]methyl]benzamide IUPAC Name: 2-[[2-[(3S)-3-aminopiperidin-1-yl]-6-fluoro-4-oxoquinazolin-3-yl]methyl]benzamide Traditional Name: 2-[[2-[(3S)-3-aminopiperidino]-6-fluoro-4-keto-quinazolin-3-yl]methyl]benzamide Formula: C21H22FN5O2 MolecularWeight: 395.430083

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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)N)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=C(C=C(C=C3)F)C(=O)N2CC4=CC=CC=C4C(=O)N)N

InChI

InChI=1S/C21H22FN5O2/c22-14-7-8-18-17(10-14)20(29)27(11-13-4-1-2-6-16(13)19(24)28)21(25-18)26-9-3-5-15(23)12-26/h1-2,4,6-8,10,15H,3,5,9,11-12,23H2,(H2,24,28)/t15-/m0/s1