3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(4-phenyltriazol-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(4-phenyl-1-triazolyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(4-phenyltriazol-1-yl)piperidino]propan-1-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1CCC(=O)N2CCC(CC2)N3C=C(N=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NN=C1CCC(=O)N2CCC(CC2)N3C=C(N=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H26N6O/c1-15-16(2)22-23-19(15)8-9-21(28)26-12-10-18(11-13-26)27-14-20(24-25-27)17-6-4-3-5-7-17/h3-7,14,18H,8-13H2,1-2H3,(H,22,23)