2-(4-chlorophenyl)-2-methyl-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 2-(4-chlorophenyl)-2-methyl-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenyl)-2-methyl-1-[2-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenyl)-2-methyl-1-[2-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 2-(4-chlorophenyl)-2-methyl-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenyl)-2-methyl-1-[2-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidino]propan-1-one Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)Cl)C(=O)N2CCCC2C3=NC(=NN3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)Cl)C(=O)N2CCCC2C3=NC(=NN3)C4=CN=CC=C4

InChI

InChI=1S/C21H22ClN5O/c1-21(2,15-7-9-16(22)10-8-15)20(28)27-12-4-6-17(27)19-24-18(25-26-19)14-5-3-11-23-13-14/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,24,25,26)