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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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