N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C20H19ClN6O2 MolecularWeight: 410.85686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6O2/c21-16-12-15(24-19(28)18-22-13-23-25-18)6-7-17(16)26-8-10-27(11-9-26)20(29)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,28)(H,22,23,25)