1-[2,4-bis(fluoranyl)phenyl]-N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide; propan-2-ol

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide; propan-2-ol Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(2,4-difluorophenyl)-5-methyl-pyrazole-4-carboxamide; propan-2-ol CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-1-(2,4-difluorophenyl)-5-methyl-4-pyrazolecarboxamide; 2-propanol IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxamide; propan-2-ol Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]-1-(2,4-difluorophenyl)-5-methyl-pyrazole-4-carboxamide; propan-2-ol Formula: C27H32F2N6O3 MolecularWeight: 526.578186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)CCO)C#N.CC(C)O

Isomeric SMILES

CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)CCO)C#N.CC(C)O

InChI

InChI=1S/C24H24F2N6O2.C3H8O/c1-16-20(15-28-32(16)23-4-2-18(25)13-21(23)26)24(34)29-19-3-5-22(17(12-19)14-27)31-8-6-30(7-9-31)10-11-33;1-3(2)4/h2-5,12-13,15,33H,6-11H2,1H3,(H,29,34);3-4H,1-2H3