N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-piperidin-4-yl-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-piperidin-4-yl-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-piperidyl)-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-(4-piperidinyl)-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-piperidin-4-yl-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-piperidyl)-1H-benzimidazole-4-carboxamide trihydrochloride Formula: C40H54Cl3N7O5 MolecularWeight: 819.25966

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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)C5CCNCC5)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)C5CCNCC5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C40H51N7O5.3ClH/c1-27-12-15-33(35(25-27)52-24-7-5-6-11-36(48)47-22-20-45(2)21-23-47)46(3)40(50)29-13-14-31(34(26-29)51-4)43-39(49)30-9-8-10-32-37(30)44-38(42-32)28-16-18-41-19-17-28;;;/h8-10,12-15,25-26,28,41H,5-7,11,16-24H2,1-4H3,(H,42,44)(H,43,49);3*1H