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

Systemtic Name: 1-[1-oxidanyl-4-[6-(3-phenylpropanoylamino)indol-1-yl]butyl]imidazole-4-carboxamide Openeye Name: 1-[1-hydroxy-4-[6-(3-phenylpropanoylamino)indol-1-yl]butyl]imidazole-4-carboxamide CAS Name: 1-[1-hydroxy-4-[6-[(1-oxo-3-phenylpropyl)amino]-1-indolyl]butyl]-4-imidazolecarboxamide IUPAC Name: 1-[1-hydroxy-4-[6-(3-phenylpropanoylamino)indol-1-yl]butyl]imidazole-4-carboxamide Traditional Name: 1-[4-[6-(hydrocinnamoylamino)indol-1-yl]-1-hydroxy-butyl]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=CN3CCCC(N4C=C(N=C4)C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C=CN3CCCC(N4C=C(N=C4)C(=O)N)O

InChI

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