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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-4-(prop-2-enoylamino)butanamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-(prop-2-enoylamino)butanamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-4-(1-oxoprop-2-enylamino)butanamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-(prop-2-enoylamino)butanamide Traditional Name: 4-acrylamido-N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]butyramide Formula: C21H19ClFN5O2 MolecularWeight: 427.859263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN5O2/c1-2-19(29)24-9-3-4-20(30)27-13-6-8-18-15(10-13)21(26-12-25-18)28-14-5-7-17(23)16(22)11-14/h2,5-8,10-12H,1,3-4,9H2,(H,24,29)(H,27,30)(H,25,26,28)