N-[3-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxidanylidene-propanamide

Systemtic Name: N-[3-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxidanylidene-propanamide Openeye Name: N-[3-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-2-oxo-propanamide CAS Name: N-[3-[4-[3-chloro-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]-2-oxopropanamide IUPAC Name: N-[3-[4-(3-chloro-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]-2-oxopropanamide Traditional Name: N-[3-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-2-keto-propionamide Formula: C25H18ClN5O3 MolecularWeight: 471.89512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClN5O3/c1-16(32)25(33)28-11-2-4-17-6-8-22-20(12-17)24(30-15-29-22)31-18-7-9-23(21(26)13-18)34-19-5-3-10-27-14-19/h3,5-10,12-15H,11H2,1H3,(H,28,33)(H,29,30,31)