1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(2-benzoyl-4-chlorophenyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(pyrrolidinomethyl)-1,2,4-triazole-3-carboxamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC(=NN2C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(C1)CC2=NC(=NN2C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)N

InChI

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