3-(4-methylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-methylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methyl-1-piperazinyl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-methylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-methylpiperazino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCN(CC3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCN(CC3)C)C)C

InChI

InChI=1S/C18H22N2O2/c1-11-9-13(3)14(10-12(11)2)15-16(18(22)17(15)21)20-7-5-19(4)6-8-20/h9-10H,5-8H2,1-4H3