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

Systemtic Name: tert-butyl N-[[4-[[2-methoxy-4-[methyl-[4-methyl-2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butoxy]phenyl]carbamoyl]phenyl]carbamoyl]-1H-benzimidazol-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[2-methoxy-4-[methyl-[4-methyl-2-[4-(4-methylpiperazin-1-yl)-4-oxo-butoxy]phenyl]carbamoyl]phenyl]carbamoyl]-1H-benzimidazol-2-yl]methyl]carbamate CAS Name: N-[[4-[[4-[[N,4-dimethyl-2-[4-(4-methyl-1-piperazinyl)-4-oxobutoxy]anilino]-oxomethyl]-2-methoxyanilino]-oxomethyl]-1H-benzimidazol-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[2-methoxy-4-[methyl-[4-methyl-2-[4-(4-methylpiperazin-1-yl)-4-oxobutoxy]phenyl]carbamoyl]phenyl]carbamoyl]-1H-benzimidazol-2-yl]methyl]carbamate Traditional Name: N-[[4-[[4-[[2-[4-keto-4-(4-methylpiperazino)butoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]-1H-benzimidazol-2-yl]methyl]carbamic acid tert-butyl ester Formula: C39H49N7O7 MolecularWeight: 727.84906

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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)CNC(=O)OC(C)(C)C)OC)OCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CNC(=O)OC(C)(C)C)OC)OCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C39H49N7O7/c1-25-13-16-30(32(22-25)52-21-9-12-34(47)46-19-17-44(5)18-20-46)45(6)37(49)26-14-15-28(31(23-26)51-7)42-36(48)27-10-8-11-29-35(27)43-33(41-29)24-40-38(50)53-39(2,3)4/h8,10-11,13-16,22-23H,9,12,17-21,24H2,1-7H3,(H,40,50)(H,41,43)(H,42,48)