4-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one

Systemtic Name: 4-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one Openeye Name: 4-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one CAS Name: 4-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one IUPAC Name: 4-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one Traditional Name: 4-[4-(aminomethyl)benzyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one Formula: C20H24N4O2 MolecularWeight: 352.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCN2C(=O)N(C=N2)CC3=CC=C(C=C3)CN

Isomeric SMILES

C1=CC=C(C=C1)OCCCCN2C(=O)N(C=N2)CC3=CC=C(C=C3)CN

InChI

InChI=1S/C20H24N4O2/c21-14-17-8-10-18(11-9-17)15-23-16-22-24(20(23)25)12-4-5-13-26-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15,21H2