N,N-diethyl-4-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-quinolin-8-yl-methyl]benzamide dihydrochloride

Systemtic Name: N,N-diethyl-4-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-quinolin-8-yl-methyl]benzamide dihydrochloride Openeye Name: N,N-diethyl-4-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-(8-quinolyl)methyl]benzamide dihydrochloride CAS Name: N,N-diethyl-4-[[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-(8-quinolinyl)methyl]benzamide dihydrochloride IUPAC Name: N,N-diethyl-4-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-quinolin-8-ylmethyl]benzamide dihydrochloride Traditional Name: N,N-diethyl-4-[[4-(4-nitrobenzyl)piperazino]-(8-quinolyl)methyl]benzamide dihydrochloride Formula: C32H37Cl2N5O3 MolecularWeight: 610.57388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=CC=C(C=C5)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2N=CC=C3)N4CCN(CC4)CC5=CC=C(C=C5)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C32H35N5O3.2ClH/c1-3-35(4-2)32(38)27-14-12-26(13-15-27)31(29-9-5-7-25-8-6-18-33-30(25)29)36-21-19-34(20-22-36)23-24-10-16-28(17-11-24)37(39)40;;/h5-18,31H,3-4,19-23H2,1-2H3;2*1H