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

Systemtic Name: 1-(4-methoxyphenyl)-5-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H21N5O3/c1-29-19-8-6-18(7-9-19)26-12-16(10-20(26)27)21(28)24-17-4-2-15(3-5-17)11-25-14-22-13-23-25/h2-9,13-14,16H,10-12H2,1H3,(H,24,28)