1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidino]-3-phenyl-prop-2-yn-1-one Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CN1C=NN=C1C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O/c1-20-13-18-19-17(20)15-9-11-21(12-10-15)16(22)8-7-14-5-3-2-4-6-14/h2-6,13,15H,9-12H2,1H3