N1,N4-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]terephthalamide CAS Name: N1,N4-bis[2-[[[2-[[[2-[(2-cyanoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]terephthalamide Formula: C44H44N22O8 MolecularWeight: 1008.96276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCC#N)C)C)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=N6)C(=O)NC7=CN(C(=N7)C(=O)NCCC#N)C)C)C

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCC#N)C)C)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=N6)C(=O)NC7=CN(C(=N7)C(=O)NCCC#N)C)C)C

InChI

InChI=1S/C44H44N22O8/c1-61-19-27(49-31(61)39(69)47-15-7-13-45)57-43(73)35-53-29(21-65(35)5)59-41(71)33-51-25(17-63(33)3)55-37(67)23-9-11-24(12-10-23)38(68)56-26-18-64(4)34(52-26)42(72)60-30-22-66(6)36(54-30)44(74)58-28-20-62(2)32(50-28)40(70)48-16-8-14-46/h9-12,17-22H,7-8,15-16H2,1-6H3,(H,47,69)(H,48,70)(H,55,67)(H,56,68)(H,57,73)(H,58,74)(H,59,71)(H,60,72)