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

Systemtic Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]-5-methyl-pyrazole-4-carboxamide hydrate Openeye Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxy-1-piperidyl)phenyl]-5-methyl-pyrazole-4-carboxamide hydrate CAS Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxy-1-piperidinyl)phenyl]-5-methyl-4-pyrazolecarboxamide hydrate IUPAC Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide hydrate Traditional Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxypiperidino)phenyl]-5-methyl-pyrazole-4-carboxamide hydrate Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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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)N4CCC(CC4)O)C#N.O

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)O)C#N.O

InChI

InChI=1S/C23H22ClN5O2.H2O/c1-15-21(14-26-29(15)19-5-2-17(24)3-6-19)23(31)27-18-4-7-22(16(12-18)13-25)28-10-8-20(30)9-11-28;/h2-7,12,14,20,30H,8-11H2,1H3,(H,27,31);1H2