2,5-bis(aziridin-1-yl)-3,6-bis(3-oxidanylpiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(aziridin-1-yl)-3,6-bis(3-oxidanylpiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3,6-bis(3-hydroxy-1-piperidyl)-1,4-benzoquinone CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(3-hydroxy-1-piperidinyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(3-hydroxypiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-diethylenimino-3,6-bis(3-hydroxypiperidino)-p-benzoquinone Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C(=O)C(=C(C2=O)N3CC3)N4CCCC(C4)O)N5CC5)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C(=O)C(=C(C2=O)N3CC3)N4CCCC(C4)O)N5CC5)O

InChI

InChI=1S/C20H28N4O4/c25-13-3-1-5-23(11-13)17-15(21-7-8-21)20(28)18(16(19(17)27)22-9-10-22)24-6-2-4-14(26)12-24/h13-14,25-26H,1-12H2