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

Systemtic Name: 1-(4-bromophenyl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]-5-methyl-pyrazole-4-carboxamide Formula: C27H29BrN6O2 MolecularWeight: 549.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN6O2/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)33-12-10-32(11-13-33)23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,31,35)