4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-fluoranyl-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-fluoranyl-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-fluoro-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide CAS Name: 4-(3-chloro-4-fluoroanilino)-7-fluoro-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-fluoro-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-fluoro-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Formula: C15H13ClF2N4O MolecularWeight: 338.739726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2C1C(N=C(N2)C(=O)N)NC3=CC(=C(C=C3)F)Cl)F

Isomeric SMILES

C1=CC(=CC2C1C(N=C(N2)C(=O)N)NC3=CC(=C(C=C3)F)Cl)F

InChI

InChI=1S/C15H13ClF2N4O/c16-10-6-8(2-4-11(10)18)20-14-9-3-1-7(17)5-12(9)21-15(22-14)13(19)23/h1-6,9,12,14,20H,(H2,19,23)(H,21,22)