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

Systemtic Name: 3-methyl-1-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C19H21N5O MolecularWeight: 335.40294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O/c1-14(2)11-17(25)24-19(21-12-15-7-4-3-5-8-15)22-18(23-24)16-9-6-10-20-13-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,22,23)