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

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(2-benzoyl-4-chlorophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H18ClN5O2/c1-24(2)11-16-22-19(18(21)27)23-25(16)15-9-8-13(20)10-14(15)17(26)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,27)