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

Systemtic Name: 2,5-bis(aziridin-1-yl)-3,6-bis(heptylamino)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3,6-bis(heptylamino)-1,4-benzoquinone CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(heptylamino)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(heptylamino)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-diethylenimino-3,6-bis(heptylamino)-p-benzoquinone Formula: C24H40N4O2 MolecularWeight: 416.6

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCCCCCCC)N3CC3

Isomeric SMILES

CCCCCCCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCCCCCCC)N3CC3

InChI

InChI=1S/C24H40N4O2/c1-3-5-7-9-11-13-25-19-21(27-15-16-27)24(30)20(22(23(19)29)28-17-18-28)26-14-12-10-8-6-4-2/h25-26H,3-18H2,1-2H3