N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-(pyridin-4-ylmethyl)-1H-benzimidazole-4-carboxamide trihydrochloride

Systemtic Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-(pyridin-4-ylmethyl)-1H-benzimidazole-4-carboxamide trihydrochloride Openeye Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]-2-(4-pyridylmethyl)-1H-benzimidazole-4-carboxamide trihydrochloride CAS Name: N-[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-2-(pyridin-4-ylmethyl)-1H-benzimidazole-4-carboxamide trihydrochloride IUPAC Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-2-(pyridin-4-ylmethyl)-1H-benzimidazole-4-carboxamide trihydrochloride Traditional Name: N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-2-(4-pyridylmethyl)-1H-benzimidazole-4-carboxamide trihydrochloride Formula: C41H50Cl3N7O5 MolecularWeight: 827.2386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CC5=CC=NC=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)NC(=O)C3=C4C(=CC=C3)NC(=N4)CC5=CC=NC=C5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C41H47N7O5.3ClH/c1-28-12-15-34(36(25-28)53-24-7-5-6-11-38(49)48-22-20-46(2)21-23-48)47(3)41(51)30-13-14-32(35(27-30)52-4)44-40(50)31-9-8-10-33-39(31)45-37(43-33)26-29-16-18-42-19-17-29;;;/h8-10,12-19,25,27H,5-7,11,20-24,26H2,1-4H3,(H,43,45)(H,44,50);3*1H