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

Systemtic Name: 2,5-bis(aziridin-1-yl)-3-methyl-6-(3-phenylpropyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3-methyl-6-(3-phenylpropyl)-1,4-benzoquinone CAS Name: 2,5-bis(1-aziridinyl)-3-methyl-6-(3-phenylpropyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3-methyl-6-(3-phenylpropyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-diethylenimino-3-methyl-6-(3-phenylpropyl)-p-benzoquinone Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)N2CC2)CCCC3=CC=CC=C3)N4CC4

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)N2CC2)CCCC3=CC=CC=C3)N4CC4

InChI

InChI=1S/C20H22N2O2/c1-14-17(21-10-11-21)20(24)16(18(19(14)23)22-12-13-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3