1-[1-oxidanyl-4-[6-(3-phenylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide

Systemtic Name: 1-[1-oxidanyl-4-[6-(3-phenylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[1-(hydroxymethyl)-3-[6-(3-phenylpropanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide CAS Name: 1-[1-hydroxy-4-[6-[(1-oxo-3-phenylpropyl)amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[1-hydroxy-4-[6-(3-phenylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[3-[6-(hydrocinnamoylamino)indol-1-yl]-1-methylol-propyl]imidazole-4-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C=CN3CCC(CO)N4C=C(N=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C=CN3CCC(CO)N4C=C(N=C4)C(=O)N

InChI

InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)