[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1,2,3-triazol-1-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1,2,3-triazol-1-yl]-piperazin-1-yl-methanone Openeye Name: [4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)triazol-1-yl]-piperazin-1-yl-methanone CAS Name: [4-(4-fluorophenyl)-5-(2-phenoxy-4-pyrimidinyl)-1-triazolyl]-(1-piperazinyl)methanone IUPAC Name: [4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)triazol-1-yl]-piperazin-1-ylmethanone Traditional Name: [4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)triazol-1-yl]-piperazino-methanone Formula: C23H20FN7O2 MolecularWeight: 445.449003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)N2C(=C(N=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C(=O)N2C(=C(N=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H20FN7O2/c24-17-8-6-16(7-9-17)20-21(31(29-28-20)23(32)30-14-12-25-13-15-30)19-10-11-26-22(27-19)33-18-4-2-1-3-5-18/h1-11,25H,12-15H2