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

Systemtic Name: 2-(4-phenoxybutyl)-4-[4-[(2-piperidin-1-ylethylamino)methyl]phenyl]-1,2,4-triazol-3-one Openeye Name: 2-(4-phenoxybutyl)-4-[4-[[2-(1-piperidyl)ethylamino]methyl]phenyl]-1,2,4-triazol-3-one CAS Name: 2-(4-phenoxybutyl)-4-[4-[[2-(1-piperidinyl)ethylamino]methyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-(4-phenoxybutyl)-4-[4-[(2-piperidin-1-ylethylamino)methyl]phenyl]-1,2,4-triazol-3-one Traditional Name: 2-(4-phenoxybutyl)-4-[4-[(2-piperidinoethylamino)methyl]phenyl]-1,2,4-triazol-3-one Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNCC2=CC=C(C=C2)N3C=NN(C3=O)CCCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNCC2=CC=C(C=C2)N3C=NN(C3=O)CCCCOC4=CC=CC=C4

InChI

InChI=1S/C26H35N5O2/c32-26-30(22-28-31(26)18-7-8-20-33-25-9-3-1-4-10-25)24-13-11-23(12-14-24)21-27-15-19-29-16-5-2-6-17-29/h1,3-4,9-14,22,27H,2,5-8,15-21H2