3-[4-(4-azanylcyclohexyl)carbonylpiperazin-1-yl]-4-ethoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[4-(4-azanylcyclohexyl)carbonylpiperazin-1-yl]-4-ethoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]-4-ethoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[4-[(4-aminocyclohexyl)-oxomethyl]-1-piperazinyl]-4-ethoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]-4-ethoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(4-aminocyclohexanecarbonyl)piperazino]-4-ethoxy-cyclobut-3-ene-1,2-quinone Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)N2CCN(CC2)C(=O)C3CCC(CC3)N

Isomeric SMILES

CCOC1=C(C(=O)C1=O)N2CCN(CC2)C(=O)C3CCC(CC3)N

InChI

InChI=1S/C17H25N3O4/c1-2-24-16-13(14(21)15(16)22)19-7-9-20(10-8-19)17(23)11-3-5-12(18)6-4-11/h11-12H,2-10,18H2,1H3