2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-N1-[2-(1,2,4-triazol-1-yl)-1H-benzimidazol-4-yl]benzene-1,4-dicarboxamide trihydrochloride

Systemtic Name: 2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-N1-[2-(1,2,4-triazol-1-yl)-1H-benzimidazol-4-yl]benzene-1,4-dicarboxamide trihydrochloride Openeye Name: 2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]-N1-[2-(1,2,4-triazol-1-yl)-1H-benzimidazol-4-yl]terephthalamide trihydrochloride CAS Name: 2-methoxy-N4-methyl-N4-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-N1-[2-(1,2,4-triazol-1-yl)-1H-benzimidazol-4-yl]benzene-1,4-dicarboxamide trihydrochloride IUPAC Name: 2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-1-N-[2-(1,2,4-triazol-1-yl)-1H-benzimidazol-4-yl]benzene-1,4-dicarboxamide trihydrochloride Traditional Name: N'-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-2-methoxy-N'-methyl-N-[2-(1,2,4-triazol-1-yl)-1H-benzimidazol-4-yl]terephthalamide trihydrochloride Formula: C37H46Cl3N9O5 MolecularWeight: 803.17744

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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)N5C=NC=N5)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)C(=O)NC3=CC=CC4=C3N=C(N4)N5C=NC=N5)OC)OCCCCCC(=O)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C37H43N9O5.3ClH/c1-25-12-15-30(32(21-25)51-20-7-5-6-11-33(47)45-18-16-43(2)17-19-45)44(3)36(49)26-13-14-27(31(22-26)50-4)35(48)40-28-9-8-10-29-34(28)42-37(41-29)46-24-38-23-39-46;;;/h8-10,12-15,21-24H,5-7,11,16-20H2,1-4H3,(H,40,48)(H,41,42);3*1H