N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]triazole-4-carboxamide CAS Name: N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]triazole-4-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3)N4CCCC4=O

InChI

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