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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N=C(N1)C2=CC=CC=C2N3CCNCC3

Isomeric SMILES

CC(C)N1C(=O)N=C(N1)C2=CC=CC=C2N3CCNCC3

InChI

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