N-[3-bromanyl-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-bromanyl-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-bromo-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-bromo-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-1-(4-chlorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-bromo-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-bromo-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C26H29BrClN5O2 MolecularWeight: 558.89776

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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)N4CCN(CC4)C5CCOCC5)Br

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C5CCOCC5)Br

InChI

InChI=1S/C26H29BrClN5O2/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)32-12-10-31(11-13-32)21-8-14-35-15-9-21/h2-7,16-17,21H,8-15H2,1H3,(H,30,34)