N1-[2-(aminomethyl)-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-(aminomethyl)-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-(aminomethyl)-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-(aminomethyl)-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-(aminomethyl)-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-(aminomethyl)-1H-benzimidazol-4-yl]-N'-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-2-methoxy-N'-methyl-terephthalamide trihydrochloride Formula: C36H48Cl3N7O5 MolecularWeight: 765.16922

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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)CN)OC)OCCCCCC(=O)N5CCN(CC5)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)CN)OC)OCCCCCC(=O)N5CCN(CC5)C.Cl.Cl.Cl

InChI

InChI=1S/C36H45N7O5.3ClH/c1-24-12-15-29(31(21-24)48-20-7-5-6-11-33(44)43-18-16-41(2)17-19-43)42(3)36(46)25-13-14-26(30(22-25)47-4)35(45)39-28-10-8-9-27-34(28)40-32(23-37)38-27;;;/h8-10,12-15,21-22H,5-7,11,16-20,23,37H2,1-4H3,(H,38,40)(H,39,45);3*1H