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

Systemtic Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride Openeye Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride CAS Name: 2,4-bis(1-azepanyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride IUPAC Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride Traditional Name: 2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride Formula: C35H52Cl2N2O4 MolecularWeight: 635.70438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OCCC)N3CCCCCC3)N4CCCCCC4.Cl.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OCCC)N3CCCCCC3)N4CCCCCC4.Cl.Cl

InChI

InChI=1S/C35H50N2O4.2ClH/c1-3-25-40-30-17-13-28(14-18-30)34(38)32(36-21-9-5-6-10-22-36)27-33(37-23-11-7-8-12-24-37)35(39)29-15-19-31(20-16-29)41-26-4-2;;/h13-20,32-33H,3-12,21-27H2,1-2H3;2*1H