3-[(4-bromanyl-2-ethyl-phenyl)methylamino]-4-[2,2-dimethylpropyl(methyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(4-bromanyl-2-ethyl-phenyl)methylamino]-4-[2,2-dimethylpropyl(methyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(4-bromo-2-ethyl-phenyl)methylamino]-4-[2,2-dimethylpropyl(methyl)amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(4-bromo-2-ethylphenyl)methylamino]-4-[2,2-dimethylpropyl(methyl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(4-bromo-2-ethylphenyl)methylamino]-4-[2,2-dimethylpropyl(methyl)amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(4-bromo-2-ethyl-benzyl)amino]-4-[methyl(neopentyl)amino]cyclobut-3-ene-1,2-quinone Formula: C19H25BrN2O2 MolecularWeight: 393.318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)CNC2=C(C(=O)C2=O)N(C)CC(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)CNC2=C(C(=O)C2=O)N(C)CC(C)(C)C

InChI

InChI=1S/C19H25BrN2O2/c1-6-12-9-14(20)8-7-13(12)10-21-15-16(18(24)17(15)23)22(5)11-19(2,3)4/h7-9,21H,6,10-11H2,1-5H3