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

Systemtic Name: 2-(4-phenoxybutyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 2-(4-phenoxybutyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-(4-phenoxybutyl)-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-(4-phenoxybutyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-(4-phenoxybutyl)-4-[4-(2-pyrrolidinoethyl)phenyl]-1,2,4-triazol-3-one Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CC=C(C=C2)N3C=NN(C3=O)CCCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCC2=CC=C(C=C2)N3C=NN(C3=O)CCCCOC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-24-27(22-12-10-21(11-13-22)14-18-26-15-4-5-16-26)20-25-28(24)17-6-7-19-30-23-8-2-1-3-9-23/h1-3,8-13,20H,4-7,14-19H2