N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H20ClN5O2/c22-17-6-7-19(27-14-23-13-24-27)18(11-17)25-21(29)16-10-20(28)26(12-16)9-8-15-4-2-1-3-5-15/h1-7,11,13-14,16H,8-10,12H2,(H,25,29)