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

Systemtic Name: N-[3-bromanyl-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate Openeye Name: N-[3-bromo-4-(4-morpholino-1-piperidyl)phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate CAS Name: N-[3-bromo-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-1-(4-chlorophenyl)-5-methyl-4-pyrazolecarboxamide hydrate IUPAC Name: N-[3-bromo-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide hydrate Traditional Name: N-[3-bromo-4-(4-morpholinopiperidino)phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide hydrate Formula: C26H31BrClN5O3 MolecularWeight: 576.91304

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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)N5CCOCC5)Br.O

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)Br.O

InChI

InChI=1S/C26H29BrClN5O2.H2O/c1-18-23(17-29-33(18)22-5-2-19(28)3-6-22)26(34)30-20-4-7-25(24(27)16-20)32-10-8-21(9-11-32)31-12-14-35-15-13-31;/h2-7,16-17,21H,8-15H2,1H3,(H,30,34);1H2