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

Systemtic Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 2,2-dimethyl-1-[3-(3-pyridyl)-5-(veratrylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)19(27)26-20(24-18(25-26)15-7-6-10-22-13-15)23-12-14-8-9-16(28-4)17(11-14)29-5/h6-11,13H,12H2,1-5H3,(H,23,24,25)