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

Systemtic Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 3-methyl-1-[3-(3-pyridyl)-5-(veratrylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-14(2)10-19(27)26-21(24-20(25-26)16-6-5-9-22-13-16)23-12-15-7-8-17(28-3)18(11-15)29-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,23,24,25)