3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-4-yl]benzene-1,2-dicarboxamide trihydrochloride

Systemtic Name: 3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-4-yl]benzene-1,2-dicarboxamide trihydrochloride Openeye Name: 3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-4-yl]phthalamide trihydrochloride CAS Name: 3-methoxy-N1-methyl-N1-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-4-[2-[(4-methyl-1-piperazinyl)methyl]-1H-benzimidazol-4-yl]benzene-1,2-dicarboxamide trihydrochloride IUPAC Name: 3-methoxy-1-N-methyl-1-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-4-yl]benzene-1,2-dicarboxamide trihydrochloride Traditional Name: N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-4-[2-[(4-methylpiperazino)methyl]-1H-benzimidazol-4-yl]phthalamide trihydrochloride Formula: C41H57Cl3N8O5 MolecularWeight: 848.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=C(C=C2)C3=C4C(=CC=C3)NC(=N4)CN5CCN(CC5)C)OC)C(=O)N)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=C(C=C2)C3=C4C(=CC=C3)NC(=N4)CN5CCN(CC5)C)OC)C(=O)N)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C41H54N8O5.3ClH/c1-28-13-16-33(34(26-28)54-25-8-6-7-12-36(50)49-23-19-46(3)20-24-49)47(4)41(52)31-15-14-30(39(53-5)37(31)40(42)51)29-10-9-11-32-38(29)44-35(43-32)27-48-21-17-45(2)18-22-48;;;/h9-11,13-16,26H,6-8,12,17-25,27H2,1-5H3,(H2,42,51)(H,43,44);3*1H