2,5-bis[6-[(2-chlorophenyl)methyl-ethyl-amino]hexylamino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis[6-[(2-chlorophenyl)methyl-ethyl-amino]hexylamino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis[6-[(2-chlorophenyl)methyl-ethyl-amino]hexylamino]-1,4-benzoquinone CAS Name: 2,5-bis[6-[(2-chlorophenyl)methyl-ethylamino]hexylamino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis[6-[(2-chlorophenyl)methyl-ethylamino]hexylamino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis[6-[(2-chlorobenzyl)-ethyl-amino]hexylamino]-p-benzoquinone Formula: C36H50Cl2N4O2 MolecularWeight: 641.7138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCCNC1=CC(=O)C(=CC1=O)NCCCCCCN(CC)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

CCN(CCCCCCNC1=CC(=O)C(=CC1=O)NCCCCCCN(CC)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C36H50Cl2N4O2/c1-3-41(27-29-17-9-11-19-31(29)37)23-15-7-5-13-21-39-33-25-36(44)34(26-35(33)43)40-22-14-6-8-16-24-42(4-2)28-30-18-10-12-20-32(30)38/h9-12,17-20,25-26,39-40H,3-8,13-16,21-24,27-28H2,1-2H3