1-[(1R,2R,4S)-4-(hydroxymethyl)-2-oxidanyl-cyclopentyl]-5-(7-phenylhept-1-ynyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(1R,2R,4S)-4-(hydroxymethyl)-2-oxidanyl-cyclopentyl]-5-(7-phenylhept-1-ynyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(7-phenylhept-1-ynyl)triazole-4-carboxamide CAS Name: 1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(7-phenylhept-1-ynyl)-4-triazolecarboxamide IUPAC Name: 1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(7-phenylhept-1-ynyl)triazole-4-carboxamide Traditional Name: 1-[(1R,2R,4S)-2-hydroxy-4-methylol-cyclopentyl]-5-(7-phenylhept-1-ynyl)triazole-4-carboxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1N2C(=C(N=N2)C(=O)N)C#CCCCCCC3=CC=CC=C3)O)CO

Isomeric SMILES

C1[C@@H](C[C@H]([C@@H]1N2C(=C(N=N2)C(=O)N)C#CCCCCCC3=CC=CC=C3)O)CO

InChI

InChI=1S/C22H28N4O3/c23-22(29)21-18(26(25-24-21)19-13-17(15-27)14-20(19)28)12-8-3-1-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-11,17,19-20,27-28H,1-3,5,9,13-15H2,(H2,23,29)/t17-,19+,20+/m0/s1