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

Systemtic Name: 3-methyl-1-[5-[(4-methylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 3-methyl-1-[5-(p-tolylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 3-methyl-1-[5-[(4-methylphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[5-[(4-methylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 3-methyl-1-[5-[(4-methylbenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)CC(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)CC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C20H23N5O/c1-14(2)11-18(26)25-20(22-12-16-8-6-15(3)7-9-16)23-19(24-25)17-5-4-10-21-13-17/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,24)