5-(4-piperazin-1-ylphenyl)-2-propan-2-yl-1H-1,2,4-triazol-3-one

Systemtic Name: 5-(4-piperazin-1-ylphenyl)-2-propan-2-yl-1H-1,2,4-triazol-3-one Openeye Name: 2-isopropyl-5-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-[4-(1-piperazinyl)phenyl]-2-propan-2-yl-1H-1,2,4-triazol-3-one IUPAC Name: 5-(4-piperazin-1-ylphenyl)-2-propan-2-yl-1H-1,2,4-triazol-3-one Traditional Name: 2-isopropyl-5-(4-piperazinophenyl)-1H-1,2,4-triazol-3-one Formula: C15H21N5O MolecularWeight: 287.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N=C(N1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)N1C(=O)N=C(N1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C15H21N5O/c1-11(2)20-15(21)17-14(18-20)12-3-5-13(6-4-12)19-9-7-16-8-10-19/h3-6,11,16H,7-10H2,1-2H3,(H,17,18,21)