3-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-4-(3-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-4-(3-pyridinylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-4-(3-pyridylmethylamino)cyclobut-3-ene-1,2-quinone Formula: C20H21BrN4O2 MolecularWeight: 429.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=C(C(=O)C2=O)NCC3=CN=CC=C3)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=C(C(=O)C2=O)NCC3=CN=CC=C3)Br

InChI

InChI=1S/C20H21BrN4O2/c1-13-9-15(21)12-24-16(13)6-2-3-8-23-17-18(20(27)19(17)26)25-11-14-5-4-7-22-10-14/h4-5,7,9-10,12,23,25H,2-3,6,8,11H2,1H3