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

Systemtic Name: 1-(4-chlorophenyl)-5-methyl-N-[3-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide hydrate Openeye Name: 1-(4-chlorophenyl)-5-methyl-N-[3-methyl-4-(4-morpholino-1-piperidyl)phenyl]pyrazole-4-carboxamide hydrate CAS Name: 1-(4-chlorophenyl)-5-methyl-N-[3-methyl-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-4-pyrazolecarboxamide hydrate IUPAC Name: 1-(4-chlorophenyl)-5-methyl-N-[3-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide hydrate Traditional Name: 1-(4-chlorophenyl)-5-methyl-N-[3-methyl-4-(4-morpholinopiperidino)phenyl]pyrazole-4-carboxamide hydrate Formula: C27H34ClN5O3 MolecularWeight: 512.04356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C)N4CCC(CC4)N5CCOCC5.O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C)N4CCC(CC4)N5CCOCC5.O

InChI

InChI=1S/C27H32ClN5O2.H2O/c1-19-17-22(5-8-26(19)32-11-9-23(10-12-32)31-13-15-35-16-14-31)30-27(34)25-18-29-33(20(25)2)24-6-3-21(28)4-7-24;/h3-8,17-18,23H,9-16H2,1-2H3,(H,30,34);1H2