(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Formula: C18H19N7O MolecularWeight: 349.38976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O/c26-17(16-4-2-15(3-5-16)12-25-14-19-13-22-25)23-8-10-24(11-9-23)18-20-6-1-7-21-18/h1-7,13-14H,8-12H2