2-(4-chlorophenyl)-N-cyano-3-methyl-4-[4-[3-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]phenyl]-3H-pyrazole-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-cyano-3-methyl-4-[4-[3-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]phenyl]-3H-pyrazole-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-cyano-4-[4-[3-(4-hydroxy-1-piperidyl)-1-piperidyl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-cyano-4-[4-[3-(4-hydroxy-1-piperidinyl)-1-piperidinyl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide IUPAC Name: 2-(4-chlorophenyl)-N-cyano-4-[4-[3-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-cyano-4-[4-[3-(4-hydroxypiperidino)piperidino]phenyl]-5-methyl-2-pyrazoline-4-carboxamide Formula: C28H33ClN6O2 MolecularWeight: 521.05362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=NN1C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)N4CCCC(C4)N5CCC(CC5)O)C(=O)NC#N

Isomeric SMILES

CC1C(C=NN1C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)N4CCCC(C4)N5CCC(CC5)O)C(=O)NC#N

InChI

InChI=1S/C28H33ClN6O2/c1-20-28(27(37)31-19-30,18-32-35(20)24-10-6-22(29)7-11-24)21-4-8-23(9-5-21)34-14-2-3-25(17-34)33-15-12-26(36)13-16-33/h4-11,18,20,25-26,36H,2-3,12-17H2,1H3,(H,31,37)