4-pyrimidin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-pyrimidin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-pyrimidin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(2-pyrimidinyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-pyrimidin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(2-pyrimidyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]piperazine-1-carboxamide Formula: C19H22N8O MolecularWeight: 378.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C19H22N8O/c28-19(26-10-8-25(9-11-26)18-21-6-1-7-22-18)23-12-16-2-4-17(5-3-16)13-27-15-20-14-24-27/h1-7,14-15H,8-13H2,(H,23,28)