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

Systemtic Name: 2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 2-[1-(4-chlorobenzoyl)propyl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one CAS Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-[1-(4-chlorobenzoyl)propyl]-4-(4-piperazinophenyl)-1,2,4-triazol-3-one Formula: C22H24ClN5O2 MolecularWeight: 425.91126

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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=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O2/c1-2-20(21(29)16-3-5-17(23)6-4-16)28-22(30)27(15-25-28)19-9-7-18(8-10-19)26-13-11-24-12-14-26/h3-10,15,20,24H,2,11-14H2,1H3