2-[[2-(3-azanylpiperidin-1-yl)-7-chloranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-7-chloranyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[[2-(3-amino-1-piperidyl)-7-chloro-4-oxo-quinazolin-3-yl]methyl]benzonitrile; 2,2,2-trifluoroacetic acid CAS Name: 2-[[2-(3-amino-1-piperidinyl)-7-chloro-4-oxo-3-quinazolinyl]methyl]benzonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-7-chloro-4-oxoquinazolin-3-yl]methyl]benzonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 2-[[2-(3-aminopiperidino)-7-chloro-4-keto-quinazolin-3-yl]methyl]benzonitrile; 2,2,2-trifluoroacetic acid Formula: C23H21ClF3N5O3 MolecularWeight: 507.89275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O.C2HF3O2/c22-16-7-8-18-19(10-16)25-21(26-9-3-6-17(24)13-26)27(20(18)28)12-15-5-2-1-4-14(15)11-23;3-2(4,5)1(6)7/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2;(H,6,7)