2,3,5-trimethyl-6-[3-methyl-3-oxidanyl-4-oxidanylidene-4-(4-propan-2-ylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5-trimethyl-6-[3-methyl-3-oxidanyl-4-oxidanylidene-4-(4-propan-2-ylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[3-hydroxy-4-(4-isopropylpiperazin-1-yl)-3-methyl-4-oxo-butyl]-3,5,6-trimethyl-1,4-benzoquinone CAS Name: 2-[3-hydroxy-3-methyl-4-oxo-4-(4-propan-2-yl-1-piperazinyl)butyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[3-hydroxy-3-methyl-4-oxo-4-(4-propan-2-ylpiperazin-1-yl)butyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-hydroxy-4-(4-isopropylpiperazino)-4-keto-3-methyl-butyl]-3,5,6-trimethyl-p-benzoquinone Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(C(=O)N2CCN(CC2)C(C)C)O)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(C(=O)N2CCN(CC2)C(C)C)O)C

InChI

InChI=1S/C21H32N2O4/c1-13(2)22-9-11-23(12-10-22)20(26)21(6,27)8-7-17-16(5)18(24)14(3)15(4)19(17)25/h13,27H,7-12H2,1-6H3