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

Systemtic Name: N-[3-[4-[(3-ethynyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-methoxy-ethanamide Openeye Name: N-[3-[4-[3-ethynyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-2-methoxy-acetamide CAS Name: N-[3-[4-[3-ethynyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]-2-methoxyacetamide IUPAC Name: N-[3-[4-(3-ethynyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]-2-methoxyacetamide Traditional Name: N-[3-[4-[3-ethynyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-2-methoxy-acetamide Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=CC=C4)C#C

Isomeric SMILES

COCC(=O)NCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=CC=C4)C#C

InChI

InChI=1S/C27H21N5O3/c1-3-20-15-21(9-11-25(20)35-22-7-5-12-28-16-22)32-27-23-14-19(8-10-24(23)30-18-31-27)6-4-13-29-26(33)17-34-2/h1,5,7-12,14-16,18H,13,17H2,2H3,(H,29,33)(H,30,31,32)