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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 3-methyl-1-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C20H23N5O2 MolecularWeight: 365.42892

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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-14(2)11-18(26)25-20(22-12-15-6-8-17(27-3)9-7-15)23-19(24-25)16-5-4-10-21-13-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,24)