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

Systemtic Name: 7-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Openeye Name: 7-chloro-4-(3-chloro-4-fluoro-anilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide CAS Name: 7-chloro-4-(3-chloro-4-fluoroanilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide IUPAC Name: 7-chloro-4-(3-chloro-4-fluoroanilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Traditional Name: 7-chloro-4-(3-chloro-4-fluoro-anilino)-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Formula: C15H13Cl2FN4O MolecularWeight: 355.194323

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl2FN4O/c16-7-1-3-9-12(5-7)21-15(13(19)23)22-14(9)20-8-2-4-11(18)10(17)6-8/h1-6,9,12,14,20H,(H2,19,23)(H,21,22)