1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide Traditional Name: 1-homoveratryl-5-keto-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=NC=NN3)OC

InChI

InChI=1S/C17H21N5O4/c1-25-13-4-3-11(7-14(13)26-2)5-6-22-9-12(8-15(22)23)16(24)20-17-18-10-19-21-17/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H2,18,19,20,21,24)