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

Systemtic Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-morpholin-4-yl-1H-benzimidazole-4-carboxamide dihydrochloride Openeye Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]-2-morpholino-1H-benzimidazole-4-carboxamide dihydrochloride CAS Name: N-[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-2-(4-morpholinyl)-1H-benzimidazole-4-carboxamide dihydrochloride IUPAC Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-2-morpholin-4-yl-1H-benzimidazole-4-carboxamide dihydrochloride Traditional Name: N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-2-morpholino-1H-benzimidazole-4-carboxamide dihydrochloride Formula: C39H51Cl2N7O6 MolecularWeight: 784.77154

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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)N5CCOCC5)OC)OCCCCCC(=O)N6CCN(CC6)C.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)N5CCOCC5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl

InChI

InChI=1S/C39H49N7O6.2ClH/c1-27-12-15-32(34(25-27)52-22-7-5-6-11-35(47)45-18-16-43(2)17-19-45)44(3)38(49)28-13-14-30(33(26-28)50-4)40-37(48)29-9-8-10-31-36(29)42-39(41-31)46-20-23-51-24-21-46;;/h8-10,12-15,25-26H,5-7,11,16-24H2,1-4H3,(H,40,48)(H,41,42);2*1H