tert-butyl N-[4-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]carbonylamino]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]carbonylamino]-1H-benzimidazol-2-yl]carbamate Openeye Name: tert-butyl N-[4-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]benzoyl]amino]-1H-benzimidazol-2-yl]carbamate CAS Name: N-[4-[[[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-oxomethyl]amino]-1H-benzimidazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]benzoyl]amino]-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[4-[[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-benzoyl]amino]-1H-benzimidazol-2-yl]carbamic acid tert-butyl ester Formula: C40H51N7O7 MolecularWeight: 741.87564

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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)NC(=O)OC(C)(C)C)OC)OCCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=CC4=C3N=C(N4)NC(=O)OC(C)(C)C)OC)OCCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C40H51N7O7/c1-26-15-18-31(33(24-26)53-23-10-8-9-14-34(48)47-21-19-45(5)20-22-47)46(6)37(50)27-16-17-28(32(25-27)52-7)36(49)41-29-12-11-13-30-35(29)43-38(42-30)44-39(51)54-40(2,3)4/h11-13,15-18,24-25H,8-10,14,19-23H2,1-7H3,(H,41,49)(H2,42,43,44,51)