N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C20H19FN6O2 MolecularWeight: 394.402263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=NC=NN3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=NC=NN3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H19FN6O2/c21-17-4-2-1-3-16(17)20(29)27-11-9-26(10-12-27)15-7-5-14(6-8-15)24-19(28)18-22-13-23-25-18/h1-8,13H,9-12H2,(H,24,28)(H,22,23,25)