N1-(2-imidazol-1-yl-1H-benzimidazol-4-yl)-2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzene-1,4-dicarboxamide trihydrochloride

Systemtic Name: N1-(2-imidazol-1-yl-1H-benzimidazol-4-yl)-2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzene-1,4-dicarboxamide trihydrochloride Openeye Name: N1-(2-imidazol-1-yl-1H-benzimidazol-4-yl)-2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]terephthalamide trihydrochloride CAS Name: N1-[2-(1-imidazolyl)-1H-benzimidazol-4-yl]-2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide trihydrochloride IUPAC Name: 1-N-(2-imidazol-1-yl-1H-benzimidazol-4-yl)-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide trihydrochloride Traditional Name: N-(2-imidazol-1-yl-1H-benzimidazol-4-yl)-N'-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-2-methoxy-N'-methyl-terephthalamide trihydrochloride Formula: C38H47Cl3N8O5 MolecularWeight: 802.18938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=CC4=C3N=C(N4)N5C=CN=C5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=CC4=C3N=C(N4)N5C=CN=C5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C38H44N8O5.3ClH/c1-26-12-15-31(33(23-26)51-22-7-5-6-11-34(47)45-20-18-43(2)19-21-45)44(3)37(49)27-13-14-28(32(24-27)50-4)36(48)40-29-9-8-10-30-35(29)42-38(41-30)46-17-16-39-25-46;;;/h8-10,12-17,23-25H,5-7,11,18-22H2,1-4H3,(H,40,48)(H,41,42);3*1H