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

Systemtic Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[4-(3-oxidanylpropyl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[4-(3-hydroxypropyl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[4-(3-hydroxypropyl)-1-piperazinyl]phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[4-(3-hydroxypropyl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[4-(3-hydroxypropyl)piperazino]phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C25H27ClN6O2 MolecularWeight: 478.97388

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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)CCCO)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN6O2/c1-18-23(17-28-32(18)22-6-3-20(26)4-7-22)25(34)29-21-5-8-24(19(15-21)16-27)31-12-10-30(11-13-31)9-2-14-33/h3-8,15,17,33H,2,9-14H2,1H3,(H,29,34)