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

Systemtic Name: 3-[[5-(4-methylpiperazin-1-yl)carbonyl-2-oxidanyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-anilino-4-[2-hydroxy-5-(4-methylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[2-hydroxy-5-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-[2-hydroxy-5-(4-methylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-[2-hydroxy-5-(4-methylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C22H22N4O4 MolecularWeight: 406.43448

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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=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4/c1-25-9-11-26(12-10-25)22(30)14-7-8-17(27)16(13-14)24-19-18(20(28)21(19)29)23-15-5-3-2-4-6-15/h2-8,13,23-24,27H,9-12H2,1H3