4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one

Systemtic Name: 4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one Openeye Name: 2-isopropyl-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one CAS Name: 4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one IUPAC Name: 4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one Traditional Name: 2-isopropyl-4-[4-[4-(4-methoxyphenyl)piperazino]phenyl]-1,2,4-triazol-3-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H27N5O2/c1-17(2)27-22(28)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(29-3)11-9-19/h4-11,16-17H,12-15H2,1-3H3