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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-anilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide CAS Name: 4-(3-chloro-4-fluoroanilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide IUPAC Name: 4-(3-chloro-4-fluoroanilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-anilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Formula: C15H14ClFN4O MolecularWeight: 320.749263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)NC(=NC2NC3=CC(=C(C=C3)F)Cl)C(=O)N

Isomeric SMILES

C1=CC2C(C=C1)NC(=NC2NC3=CC(=C(C=C3)F)Cl)C(=O)N

InChI

InChI=1S/C15H14ClFN4O/c16-10-7-8(5-6-11(10)17)19-14-9-3-1-2-4-12(9)20-15(21-14)13(18)22/h1-7,9,12,14,19H,(H2,18,22)(H,20,21)