2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride

Systemtic Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Openeye Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride CAS Name: 2,7-bis(1-azepanylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride IUPAC Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Traditional Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Formula: C40H62Cl2N2O4 MolecularWeight: 705.83728

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCCC4.Cl.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCCC4.Cl.Cl

InChI

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