1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[3,5-bis[(4-ethylbenzyl)amino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C24H31N5O MolecularWeight: 405.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)C(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)C(=O)C(C)C

InChI

InChI=1S/C24H31N5O/c1-5-18-7-11-20(12-8-18)15-25-23-27-24(29(28-23)22(30)17(3)4)26-16-21-13-9-19(6-2)10-14-21/h7-14,17H,5-6,15-16H2,1-4H3,(H2,25,26,27,28)