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

Systemtic Name: 2-methyl-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O/c1-13(2)17(24)23-18(20-11-14-7-4-3-5-8-14)21-16(22-23)15-9-6-10-19-12-15/h3-10,12-13H,11H2,1-2H3,(H,20,21,22)