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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-15(2)13-19(26)25-21(22-14-16-7-5-4-6-8-16)23-20(24-25)17-9-11-18(27-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,22,23,24)