N-[2-tert-butyl-4-(4-chlorophenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-tert-butyl-4-(4-chlorophenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-1H-pyrazole-5-carboxamide Openeye Name: N-[2-tert-butyl-4-(4-chlorophenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-1H-pyrazole-5-carboxamide CAS Name: N-[2-tert-butyl-4-(4-chlorophenyl)-6-[2-(4-phenyl-1-piperazinyl)ethyl]phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-tert-butyl-4-(4-chlorophenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-1H-pyrazole-5-carboxamide Traditional Name: N-[2-tert-butyl-4-(4-chlorophenyl)-6-[2-(4-phenylpiperazino)ethyl]phenyl]-1H-pyrazole-5-carboxamide Formula: C32H36ClN5O MolecularWeight: 542.11414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1NC(=O)C2=CC=NN2)CCN3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1NC(=O)C2=CC=NN2)CCN3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H36ClN5O/c1-32(2,3)28-22-25(23-9-11-26(33)12-10-23)21-24(30(28)35-31(39)29-13-15-34-36-29)14-16-37-17-19-38(20-18-37)27-7-5-4-6-8-27/h4-13,15,21-22H,14,16-20H2,1-3H3,(H,34,36)(H,35,39)