2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-butoxyphenyl)hexane-1,6-dione dihydrochloride

Systemtic Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-butoxyphenyl)hexane-1,6-dione dihydrochloride Openeye Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-butoxyphenyl)hexane-1,6-dione dihydrochloride CAS Name: 2,5-bis(1-azepanylmethyl)-1,6-bis(4-butoxyphenyl)hexane-1,6-dione dihydrochloride IUPAC Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-butoxyphenyl)hexane-1,6-dione dihydrochloride Traditional Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-butoxyphenyl)hexane-1,6-dione dihydrochloride Formula: C40H62Cl2N2O4 MolecularWeight: 705.83728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCCC)CN4CCCCCC4.Cl.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCCC)CN4CCCCCC4.Cl.Cl

InChI

InChI=1S/C40H60N2O4.2ClH/c1-3-5-29-45-37-21-17-33(18-22-37)39(43)35(31-41-25-11-7-8-12-26-41)15-16-36(32-42-27-13-9-10-14-28-42)40(44)34-19-23-38(24-20-34)46-30-6-4-2;;/h17-24,35-36H,3-16,25-32H2,1-2H3;2*1H