N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C18H19ClN8O MolecularWeight: 398.84946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=NC=CC=N4

InChI

InChI=1S/C18H19ClN8O/c19-14-2-3-16(27-13-20-12-23-27)15(10-14)24-17(28)11-25-6-8-26(9-7-25)18-21-4-1-5-22-18/h1-5,10,12-13H,6-9,11H2,(H,24,28)