(3S)-N-[[4-(5-heptyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-3-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (3S)-N-[[4-(5-heptyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (3S)-N-[[4-(5-heptyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: (3S)-N-[[4-(5-heptyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[[4-(5-heptyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: (3S)-N-[4-(5-heptyl-1-methyl-1,2,4-triazol-3-yl)benzyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NN1C)C2=CC=C(C=C2)CNC(=O)C3C(CCN3)O

Isomeric SMILES

CCCCCCCC1=NC(=NN1C)C2=CC=C(C=C2)CNC(=O)C3[C@H](CCN3)O

InChI

InChI=1S/C22H33N5O2/c1-3-4-5-6-7-8-19-25-21(26-27(19)2)17-11-9-16(10-12-17)15-24-22(29)20-18(28)13-14-23-20/h9-12,18,20,23,28H,3-8,13-15H2,1-2H3,(H,24,29)/t18-,20?/m0/s1