1-(4-butylphenyl)-5-oxidanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-butylphenyl)-5-oxidanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-butylphenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: 1-(4-butylphenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-butylphenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: 1-(4-butylphenyl)-5-keto-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]pyrrolidine-3-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

InChI

InChI=1S/C25H29N5O2/c1-2-3-6-19-9-11-23(12-10-19)30-16-22(13-24(30)31)25(32)27-14-20-7-4-5-8-21(20)15-29-18-26-17-28-29/h4-5,7-12,17-18,22H,2-3,6,13-16H2,1H3,(H,27,32)