2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride

Systemtic Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride Openeye Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride CAS Name: 2,4-bis(1-azepanylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride IUPAC Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride Traditional Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride Formula: C33H48Cl2N2O4 MolecularWeight: 607.65122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O4.2ClH/c1-38-30-15-11-26(12-16-30)32(36)28(24-34-19-7-3-4-8-20-34)23-29(25-35-21-9-5-6-10-22-35)33(37)27-13-17-31(39-2)18-14-27;;/h11-18,28-29H,3-10,19-25H2,1-2H3;2*1H