2-(4-bromophenyl)-N-cyano-4-[4-[3-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-cyano-4-[4-[3-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-cyano-4-[4-[3-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-cyano-4-[4-[3-(2-hydroxyethyl)-1-piperazinyl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide IUPAC Name: 2-(4-bromophenyl)-N-cyano-4-[4-[3-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-methyl-3H-pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-cyano-4-[4-[3-(2-hydroxyethyl)piperazino]phenyl]-5-methyl-2-pyrazoline-4-carboxamide Formula: C24H27BrN6O2 MolecularWeight: 511.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=NN1C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)N4CCNC(C4)CCO)C(=O)NC#N

Isomeric SMILES

CC1C(C=NN1C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)N4CCNC(C4)CCO)C(=O)NC#N

InChI

InChI=1S/C24H27BrN6O2/c1-17-24(23(33)28-16-26,15-29-31(17)22-8-4-19(25)5-9-22)18-2-6-21(7-3-18)30-12-11-27-20(14-30)10-13-32/h2-9,15,17,20,27,32H,10-14H2,1H3,(H,28,33)