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

Systemtic Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione dihydrochloride Openeye Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione dihydrochloride CAS Name: 2,7-bis(1-azepanylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione dihydrochloride IUPAC Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione dihydrochloride Traditional Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-methoxyphenyl)octane-1,8-dione dihydrochloride Formula: C36H54Cl2N2O4 MolecularWeight: 649.73096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OC)CN4CCCCCC4.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OC)CN4CCCCCC4.Cl.Cl

InChI

InChI=1S/C36H52N2O4.2ClH/c1-41-33-19-15-29(16-20-33)35(39)31(27-37-23-9-3-4-10-24-37)13-7-8-14-32(28-38-25-11-5-6-12-26-38)36(40)30-17-21-34(42-2)22-18-30;;/h15-22,31-32H,3-14,23-28H2,1-2H3;2*1H