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

Systemtic Name: 3-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-4-[(phenylmethyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(benzylamino)-4-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-4-[(phenylmethyl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(benzylamino)-4-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(benzylamino)-4-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]cyclobut-3-ene-1,2-quinone Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2/c1-14-11-16(22)13-24-17(14)9-5-6-10-23-18-19(21(27)20(18)26)25-12-15-7-3-2-4-8-15/h2-4,7-8,11,13,23,25H,5-6,9-10,12H2,1H3