4-[3-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-ethyl-amino]propanoylamino]benzamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C25H28N4O3/c1-4-28(16-15-23(30)27-21-11-7-19(8-12-21)24(26)31)25(32)20-9-13-22(14-10-20)29-17(2)5-6-18(29)3/h5-14H,4,15-16H2,1-3H3,(H2,26,31)(H,27,30)