2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-1,2,4-triazol-3-one

Systemtic Name: 2-[1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl]-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-1,2,4-triazol-3-one Openeye Name: 2-[1-(4-chlorobenzoyl)propyl]-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-1,2,4-triazol-3-one CAS Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-pyrimidinyl]-1,2,4-triazol-3-one IUPAC Name: 2-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-1,2,4-triazol-3-one Traditional Name: 2-[1-(4-chlorobenzoyl)propyl]-4-[2-[4-(4-hydroxyphenyl)piperazino]pyrimidin-5-yl]-1,2,4-triazol-3-one Formula: C26H26ClN7O3 MolecularWeight: 519.98274

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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(N=C3)N4CCN(CC4)C5=CC=C(C=C5)O

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)C3=CN=C(N=C3)N4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C26H26ClN7O3/c1-2-23(24(36)18-3-5-19(27)6-4-18)34-26(37)33(17-30-34)21-15-28-25(29-16-21)32-13-11-31(12-14-32)20-7-9-22(35)10-8-20/h3-10,15-17,23,35H,2,11-14H2,1H3