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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H20ClN5O2/c1-2-14-4-3-5-17(8-14)26-11-15(9-20(26)28)21(29)25-18-10-16(22)6-7-19(18)27-13-23-12-24-27/h3-8,10,12-13,15H,2,9,11H2,1H3,(H,25,29)