N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate

Systemtic Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate Openeye Name: N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate CAS Name: N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide hydrate IUPAC Name: N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide hydrate Traditional Name: N-[3-cyano-4-(4-morpholinopiperidino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate Formula: C27H31FN6O3 MolecularWeight: 506.571843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N.O

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N.O

InChI

InChI=1S/C27H29FN6O2.H2O/c1-19-25(18-30-34(19)24-5-2-21(28)3-6-24)27(35)31-22-4-7-26(20(16-22)17-29)33-10-8-23(9-11-33)32-12-14-36-15-13-32;/h2-7,16,18,23H,8-15H2,1H3,(H,31,35);1H2