1-[(2R)-4-[6-(hexanoylamino)indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide

Systemtic Name: 1-[(2R)-4-[6-(hexanoylamino)indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[(1R)-3-[6-(hexanoylamino)indol-1-yl]-1-(hydroxymethyl)propyl]imidazole-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-(1-oxohexylamino)-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(2R)-4-[6-(hexanoylamino)indol-1-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[(1R)-3-[6-(caproylamino)indol-1-yl]-1-methylol-propyl]imidazole-4-carboxamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)C=CN2CCC(CO)N3C=C(N=C3)C(=O)N

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)C=CN2CC[C@H](CO)N3C=C(N=C3)C(=O)N

InChI

InChI=1S/C22H29N5O3/c1-2-3-4-5-21(29)25-17-7-6-16-8-10-26(20(16)12-17)11-9-18(14-28)27-13-19(22(23)30)24-15-27/h6-8,10,12-13,15,18,28H,2-5,9,11,14H2,1H3,(H2,23,30)(H,25,29)/t18-/m1/s1