3-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(3-chloro-4-fluoro-phenyl)methylamino]-4-(1,1-dimethylpropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[(3-chloro-4-fluorophenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(3-chloro-4-fluorophenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-amylamino)-4-[(3-chloro-4-fluoro-benzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C16H18ClFN2O2 MolecularWeight: 324.777723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H18ClFN2O2/c1-4-16(2,3)20-13-12(14(21)15(13)22)19-8-9-5-6-11(18)10(17)7-9/h5-7,19-20H,4,8H2,1-3H3