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

Systemtic Name: N-[2-methoxy-4-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-phenyl-1H-benzimidazole-4-carboxamide Openeye Name: N-[2-methoxy-4-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]-2-phenyl-1H-benzimidazole-4-carboxamide CAS Name: N-[2-methoxy-4-[[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]phenyl]-2-phenyl-1H-benzimidazole-4-carboxamide IUPAC Name: N-[2-methoxy-4-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-2-phenyl-1H-benzimidazole-4-carboxamide Traditional Name: N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]carbamoyl]-2-methoxy-phenyl]-2-phenyl-1H-benzimidazole-4-carboxamide Formula: C40H44N6O5 MolecularWeight: 688.81456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H44N6O5/c1-27-16-18-32(35(25-27)51-24-9-5-8-15-36(47)46-22-20-45(2)21-23-46)42-39(48)29-17-19-31(34(26-29)50-3)43-40(49)30-13-10-14-33-37(30)44-38(41-33)28-11-6-4-7-12-28/h4,6-7,10-14,16-19,25-26H,5,8-9,15,20-24H2,1-3H3,(H,41,44)(H,42,48)(H,43,49)