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

Systemtic Name: 4-[4-(2-dimethylaminoethyl)phenyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one Openeye Name: 4-[4-(2-dimethylaminoethyl)phenyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one CAS Name: 4-[4-(2-dimethylaminoethyl)phenyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one IUPAC Name: 4-[4-(2-dimethylaminoethyl)phenyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one Traditional Name: 4-[4-(2-dimethylaminoethyl)phenyl]-2-(4-phenoxybutyl)-1,2,4-triazol-3-one Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)N2C=NN(C2=O)CCCCOC3=CC=CC=C3

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)N2C=NN(C2=O)CCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-24(2)16-14-19-10-12-20(13-11-19)25-18-23-26(22(25)27)15-6-7-17-28-21-8-4-3-5-9-21/h3-5,8-13,18H,6-7,14-17H2,1-2H3