N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)pyrrole-2-carboxamide

Systemtic Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)pyrrole-2-carboxamide Openeye Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)pyrrole-2-carboxamide CAS Name: N-[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-4-[[1-oxo-4-(4-pyrenyl)butyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)pyrrole-2-carboxamide Traditional Name: N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)pyrrole-2-carboxamide Formula: C37H40N6O3 MolecularWeight: 616.7519

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCC3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCC3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5

InChI

InChI=1S/C37H40N6O3/c1-41(2)18-8-17-38-36(45)31-21-29(23-42(31)3)40-37(46)32-20-28(22-43(32)4)39-33(44)14-7-11-26-19-27-12-5-9-24-15-16-25-10-6-13-30(26)35(25)34(24)27/h5-6,9-10,12-13,15-16,19-23H,7-8,11,14,17-18H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)