2-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-[(4-isopropylphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-[(4-isopropylbenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C(C)C)C3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C(C)C)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O/c1-14(2)17-9-7-16(8-10-17)12-23-21-24-19(18-6-5-11-22-13-18)25-26(21)20(27)15(3)4/h5-11,13-15H,12H2,1-4H3,(H,23,24,25)