N2,N5-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]pyridine-2,5-dicarboxamide

Systemtic Name: N2,N5-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]pyridine-2,5-dicarboxamide Openeye Name: N2,N5-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamoyl]-1-methyl-imidazol-4-yl]pyridine-2,5-dicarboxamide CAS Name: N2,N5-bis[2-[[[2-[[[2-[(2-cyanoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]pyridine-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]pyridine-2,5-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]isocinchomeronamide Formula: C43H43N23O8 MolecularWeight: 1009.95082

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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=CN=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=CN=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/C43H43N23O8/c1-61-18-26(49-30(61)38(69)46-13-7-11-44)57-42(73)34-53-28(20-65(34)5)59-40(71)32-51-24(16-63(32)3)55-36(67)22-9-10-23(48-15-22)37(68)56-25-17-64(4)33(52-25)41(72)60-29-21-66(6)35(54-29)43(74)58-27-19-62(2)31(50-27)39(70)47-14-8-12-45/h9-10,15-21H,7-8,13-14H2,1-6H3,(H,46,69)(H,47,70)(H,55,67)(H,56,68)(H,57,73)(H,58,74)(H,59,71)(H,60,72)