2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-fluoranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-fluoranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-fluoro-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-fluoro-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-fluoro-4-keto-quinazolin-3-yl]methyl]benzonitrile Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O/c22-17-8-3-9-18-19(17)20(28)27(12-15-6-2-1-5-14(15)11-23)21(25-18)26-10-4-7-16(24)13-26/h1-3,5-6,8-9,16H,4,7,10,12-13,24H2/t16-/m1/s1