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

Systemtic Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride Openeye Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride CAS Name: 2,4-bis(1-azepanyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride IUPAC Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride Traditional Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride Formula: C31H44Cl2N2O4 MolecularWeight: 579.59806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OC)N3CCCCCC3)N4CCCCCC4.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OC)N3CCCCCC3)N4CCCCCC4.Cl.Cl

InChI

InChI=1S/C31H42N2O4.2ClH/c1-36-26-15-11-24(12-16-26)30(34)28(32-19-7-3-4-8-20-32)23-29(33-21-9-5-6-10-22-33)31(35)25-13-17-27(37-2)18-14-25;;/h11-18,28-29H,3-10,19-23H2,1-2H3;2*1H