N2,N5-bis[5-[[4-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-2-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1H-indole-2,5-dicarboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N2,N5-bis[5-[[4-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-2-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1H-indole-2,5-dicarboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N2,N5-bis[5-[[4-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-2-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1H-indole-2,5-dicarboxamide; 2,2,2-trifluoroacetic acid CAS Name: N2,N5-bis[5-[[[4-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-2-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1H-indole-2,5-dicarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-N,5-N-bis[5-[[4-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-2-yl]carbamoyl]-1-methylpyrrol-3-yl]-1H-indole-2,5-dicarboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N,N'-bis[5-[[4-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-2-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1H-indole-2,5-dicarboxamide; 2,2,2-trifluoroacetic acid Formula: C48H57F6N13O10 MolecularWeight: 1090.037699

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC(=CN2C)C(=O)NCCCN(C)C)NC(=O)C3=CC4=C(C=C3)NC(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CC(=CN6C)C(=O)NCCCN(C)C)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC(=CN2C)C(=O)NCCCN(C)C)NC(=O)C3=CC4=C(C=C3)NC(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CC(=CN6C)C(=O)NCCCN(C)C)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C44H55N13O6.2C2HF3O2/c1-52(2)15-9-13-45-39(58)29-19-37(56(7)23-29)50-43(62)35-21-31(25-54(35)5)47-41(60)27-11-12-33-28(17-27)18-34(49-33)42(61)48-32-22-36(55(6)26-32)44(63)51-38-20-30(24-57(38)8)40(59)46-14-10-16-53(3)4;2*3-2(4,5)1(6)7/h11-12,17-26,49H,9-10,13-16H2,1-8H3,(H,45,58)(H,46,59)(H,47,60)(H,48,61)(H,50,62)(H,51,63);2*(H,6,7)