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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-5-keto-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H20ClN5O3/c1-30-19-7-4-16(22)9-18(19)27-11-15(8-20(27)28)21(29)25-17-5-2-14(3-6-17)10-26-13-23-12-24-26/h2-7,9,12-13,15H,8,10-11H2,1H3,(H,25,29)