2-[3-(2,2-dimethylpropyl)-2-[(3-fluorophenyl)amino]-4H-quinazolin-4-yl]ethanamide

Systemtic Name: 2-[3-(2,2-dimethylpropyl)-2-[(3-fluorophenyl)amino]-4H-quinazolin-4-yl]ethanamide Openeye Name: 2-[3-(2,2-dimethylpropyl)-2-(3-fluoroanilino)-4H-quinazolin-4-yl]acetamide CAS Name: 2-[3-(2,2-dimethylpropyl)-2-(3-fluoroanilino)-4H-quinazolin-4-yl]acetamide IUPAC Name: 2-[3-(2,2-dimethylpropyl)-2-(3-fluoroanilino)-4H-quinazolin-4-yl]acetamide Traditional Name: 2-[2-(3-fluoroanilino)-3-neopentyl-4H-quinazolin-4-yl]acetamide Formula: C21H25FN4O MolecularWeight: 368.447803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(C2=CC=CC=C2N=C1NC3=CC(=CC=C3)F)CC(=O)N

Isomeric SMILES

CC(C)(C)CN1C(C2=CC=CC=C2N=C1NC3=CC(=CC=C3)F)CC(=O)N

InChI

InChI=1S/C21H25FN4O/c1-21(2,3)13-26-18(12-19(23)27)16-9-4-5-10-17(16)25-20(26)24-15-8-6-7-14(22)11-15/h4-11,18H,12-13H2,1-3H3,(H2,23,27)(H,24,25)