2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynyl-acetamide CAS Name: 2-[3-[4-(1H-indazol-5-ylamino)-2-quinazolinyl]phenoxy]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide Traditional Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propargyl-acetamide Formula: C26H20N6O2 MolecularWeight: 448.476

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5

Isomeric SMILES

C#CCNC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5

InChI

InChI=1S/C26H20N6O2/c1-2-12-27-24(33)16-34-20-7-5-6-17(14-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(13-19)15-28-32-22/h1,3-11,13-15H,12,16H2,(H,27,33)(H,28,32)(H,29,30,31)