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

Systemtic Name: N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxidanyl-ethanamide Openeye Name: 2-hydroxy-N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]acetamide CAS Name: 2-hydroxy-N-[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]acetamide IUPAC Name: 2-hydroxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide Traditional Name: 2-hydroxy-N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]acetamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3/c1-17-12-19(7-9-23(17)33-20-5-3-10-26-14-20)30-25-21-13-18(4-2-11-27-24(32)15-31)6-8-22(21)28-16-29-25/h3,5-10,12-14,16,31H,11,15H2,1H3,(H,27,32)(H,28,29,30)