[[4-chloranyl-2-[oxidanyl(phenyl)methyl]phenyl]-[5-(dimethylaminomethyl)-1H-1,2,4-triazol-3-yl]methyl] ethanoate

Systemtic Name: [[4-chloranyl-2-[oxidanyl(phenyl)methyl]phenyl]-[5-(dimethylaminomethyl)-1H-1,2,4-triazol-3-yl]methyl] ethanoate Openeye Name: [[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-[5-(dimethylaminomethyl)-1H-1,2,4-triazol-3-yl]methyl] acetate CAS Name: acetic acid [[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-[5-(dimethylaminomethyl)-1H-1,2,4-triazol-3-yl]methyl] ester IUPAC Name: [[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-[5-(dimethylaminomethyl)-1H-1,2,4-triazol-3-yl]methyl] acetate Traditional Name: acetic acid [[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-[5-(dimethylaminomethyl)-1H-1,2,4-triazol-3-yl]methyl] ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)O)C3=NNC(=N3)CN(C)C

Isomeric SMILES

CC(=O)OC(C1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)O)C3=NNC(=N3)CN(C)C

InChI

InChI=1S/C21H23ClN4O3/c1-13(27)29-20(21-23-18(24-25-21)12-26(2)3)16-10-9-15(22)11-17(16)19(28)14-7-5-4-6-8-14/h4-11,19-20,28H,12H2,1-3H3,(H,23,24,25)