3-[(2-bromophenyl)amino]-4-[[5-(4-methylpiperazin-1-yl)carbonyl-2-oxidanyl-phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2-bromophenyl)amino]-4-[[5-(4-methylpiperazin-1-yl)carbonyl-2-oxidanyl-phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(2-bromoanilino)-4-[2-hydroxy-5-(4-methylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-(2-bromoanilino)-4-[2-hydroxy-5-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2-bromoanilino)-4-[2-hydroxy-5-(4-methylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(2-bromoanilino)-4-[2-hydroxy-5-(4-methylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4Br

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H21BrN4O4/c1-26-8-10-27(11-9-26)22(31)13-6-7-17(28)16(12-13)25-19-18(20(29)21(19)30)24-15-5-3-2-4-14(15)23/h2-7,12,24-25,28H,8-11H2,1H3