2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-(6-piperazin-1-ylpyridin-3-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-(6-piperazin-1-ylpyridin-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-[1-(4-chlorobenzoyl)propyl]-4-(6-piperazin-1-yl-3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[6-(1-piperazinyl)-3-pyridinyl]-1,2,4-triazol-3-one IUPAC Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-(6-piperazin-1-ylpyridin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-[1-(4-chlorobenzoyl)propyl]-4-(6-piperazino-3-pyridyl)-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)C3=CN=C(C=C3)N4CCNCC4

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)C3=CN=C(C=C3)N4CCNCC4

InChI

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