N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide

Systemtic Name: N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide Openeye Name: N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide CAS Name: N-[2-[(2-dimethylaminoethylamino)-oxomethyl]-1-methyl-4-imidazolyl]-1-methyl-4-[[1-oxo-4-(4-pyrenyl)butyl]amino]-2-imidazolecarboxamide IUPAC Name: N-[2-(2-dimethylaminoethylcarbamoyl)-1-methylimidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide Traditional Name: N-[2-(2-dimethylaminoethylcarbamoyl)-1-methyl-imidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide Formula: C34H36N8O3 MolecularWeight: 604.70144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)CCCC3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)CCCC3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5

InChI

InChI=1S/C34H36N8O3/c1-40(2)17-16-35-33(44)31-38-27(20-41(31)3)39-34(45)32-37-26(19-42(32)4)36-28(43)13-7-10-23-18-24-11-5-8-21-14-15-22-9-6-12-25(23)30(22)29(21)24/h5-6,8-9,11-12,14-15,18-20H,7,10,13,16-17H2,1-4H3,(H,35,44)(H,36,43)(H,39,45)