4-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxidanylpentan-3-yl)-1,2,4-triazol-3-one

Systemtic Name: 4-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxidanylpentan-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-(1-ethyl-2-hydroxy-propyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-(2-hydroxypentan-3-yl)-4-[4-(4-methyl-1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-(2-hydroxypentan-3-yl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-(1-ethyl-2-hydroxy-propyl)-4-[4-(4-methylpiperazino)phenyl]-1,2,4-triazol-3-one Formula: C18H27N5O2 MolecularWeight: 345.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C18H27N5O2/c1-4-17(14(2)24)23-18(25)22(13-19-23)16-7-5-15(6-8-16)21-11-9-20(3)10-12-21/h5-8,13-14,17,24H,4,9-12H2,1-3H3