3-[3-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-4-yl]phenol

Systemtic Name: 3-[3-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-4-yl]phenol Openeye Name: 3-[3-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-4-yl]phenol CAS Name: 3-[3-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-4-yl]phenol IUPAC Name: 3-[3-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-4-yl]phenol Traditional Name: 3-[3-(3-tert-butylphenyl)-5-(dimethylaminomethyl)-1,2,4-triazol-4-yl]phenol Formula: C21H26N4O MolecularWeight: 350.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C2=NN=C(N2C3=CC(=CC=C3)O)CN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C2=NN=C(N2C3=CC(=CC=C3)O)CN(C)C

InChI

InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-23-22-19(14-24(4)5)25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3