N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-3-(1-oxoprop-2-enylamino)propanamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide Traditional Name: 3-acrylamido-N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]propionamide Formula: C20H17ClFN5O2 MolecularWeight: 413.832683

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C=CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H17ClFN5O2/c1-2-18(28)23-8-7-19(29)26-12-4-6-17-14(9-12)20(25-11-24-17)27-13-3-5-16(22)15(21)10-13/h2-6,9-11H,1,7-8H2,(H,23,28)(H,26,29)(H,24,25,27)