2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-(2-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-(2-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazol-3-one Openeye Name: 2-[1-(4-chlorobenzoyl)propyl]-4-[2-(2-pyridyl)piperazin-1-yl]-1,2,4-triazol-3-one CAS Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[2-(2-pyridinyl)-1-piperazinyl]-1,2,4-triazol-3-one IUPAC Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-(2-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazol-3-one Traditional Name: 2-[1-(4-chlorobenzoyl)propyl]-4-[2-(2-pyridyl)piperazino]-1,2,4-triazol-3-one Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)N3CCNCC3C4=CC=CC=N4

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)N3CCNCC3C4=CC=CC=N4

InChI

InChI=1S/C21H23ClN6O2/c1-2-18(20(29)15-6-8-16(22)9-7-15)28-21(30)27(14-25-28)26-12-11-23-13-19(26)17-5-3-4-10-24-17/h3-10,14,18-19,23H,2,11-13H2,1H3