N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-pyridin-3-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-pyridin-3-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-(3-pyridyl)-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-(3-pyridinyl)-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-3-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-(3-pyridyl)-1H-benzimidazole-4-carboxamide trihydrochloride Formula: C40H48Cl3N7O5 MolecularWeight: 813.21202

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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)C5=CN=CC=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)C5=CN=CC=C5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C40H45N7O5.3ClH/c1-27-14-17-33(35(24-27)52-23-7-5-6-13-36(48)47-21-19-45(2)20-22-47)46(3)40(50)28-15-16-31(34(25-28)51-4)43-39(49)30-11-8-12-32-37(30)44-38(42-32)29-10-9-18-41-26-29;;;/h8-12,14-18,24-26H,5-7,13,19-23H2,1-4H3,(H,42,44)(H,43,49);3*1H