1-(4-chlorophenyl)-N-[3-ethynyl-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[3-ethynyl-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[3-ethynyl-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[3-ethynyl-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[3-ethynyl-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[3-ethynyl-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C28H30ClN5O2 MolecularWeight: 504.0231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C5CCOCC5)C#C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C5CCOCC5)C#C

InChI

InChI=1S/C28H30ClN5O2/c1-3-21-18-23(6-9-27(21)33-14-12-32(13-15-33)24-10-16-36-17-11-24)31-28(35)26-19-30-34(20(26)2)25-7-4-22(29)5-8-25/h1,4-9,18-19,24H,10-17H2,2H3,(H,31,35)