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

Systemtic Name: 5-oxidanylidene-1-(phenylmethyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-benzyl-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 5-oxo-1-(phenylmethyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-benzyl-5-keto-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H21N5O2/c27-20-10-18(13-25(20)11-16-4-2-1-3-5-16)21(28)24-19-8-6-17(7-9-19)12-26-15-22-14-23-26/h1-9,14-15,18H,10-13H2,(H,24,28)