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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C20H18ClN5O3/c1-29-16-5-3-15(4-6-16)25-10-13(8-19(25)27)20(28)24-17-9-14(21)2-7-18(17)26-12-22-11-23-26/h2-7,9,11-13H,8,10H2,1H3,(H,24,28)