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

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(piperidin-1-ylmethyl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(1-piperidylmethyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(2-benzoyl-4-chlorophenyl)-5-(1-piperidinylmethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(piperidinomethyl)-1,2,4-triazole-3-carboxamide Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC(=NN2C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=NC(=NN2C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H22ClN5O2/c23-16-9-10-18(17(13-16)20(29)15-7-3-1-4-8-15)28-19(25-22(26-28)21(24)30)14-27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H2,24,30)