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

Systemtic Name: 2,2-dimethyl-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]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2,2-dimethyl-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]-2,2-dimethyl-propan-1-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-15(2)17-10-8-16(9-11-17)13-24-21-25-19(18-7-6-12-23-14-18)26-27(21)20(28)22(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,24,25,26)