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

Systemtic Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride Openeye Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride CAS Name: 2,4-bis(1-azepanylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride IUPAC Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride Traditional Name: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride Formula: C37H56Cl2N2O4 MolecularWeight: 663.75754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O4.2ClH/c1-3-25-42-34-17-13-30(14-18-34)36(40)32(28-38-21-9-5-6-10-22-38)27-33(29-39-23-11-7-8-12-24-39)37(41)31-15-19-35(20-16-31)43-26-4-2;;/h13-20,32-33H,3-12,21-29H2,1-2H3;2*1H