N-[4-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]but-3-ynyl]-2-oxidanyl-ethanamide

Systemtic Name: N-[4-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]but-3-ynyl]-2-oxidanyl-ethanamide Openeye Name: 2-hydroxy-N-[4-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]but-3-ynyl]acetamide CAS Name: 2-hydroxy-N-[4-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]but-3-ynyl]acetamide IUPAC Name: 2-hydroxy-N-[4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-ynyl]acetamide Traditional Name: 2-hydroxy-N-[4-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]but-3-ynyl]acetamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCCNC(=O)CO)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCCNC(=O)CO)OC4=CN=CC=C4

InChI

InChI=1S/C26H23N5O3/c1-18-13-20(8-10-24(18)34-21-6-4-11-27-15-21)31-26-22-14-19(7-9-23(22)29-17-30-26)5-2-3-12-28-25(33)16-32/h4,6-11,13-15,17,32H,3,12,16H2,1H3,(H,28,33)(H,29,30,31)