5-(2-methylpropyl)-1-phenyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: 5-(2-methylpropyl)-1-phenyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-isobutyl-1-phenyl-pyrazole-3-carboxamide CAS Name: 5-(2-methylpropyl)-1-phenyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-5-isobutyl-1-phenyl-pyrazole-3-carboxamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1C2=CC=CC=C2)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=NN1C2=CC=CC=C2)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c1-22(2)19-25-20-26(29-32(25)24-11-7-4-8-12-24)27(33)28-13-14-30-15-17-31(18-16-30)21-23-9-5-3-6-10-23/h3-12,20,22H,13-19,21H2,1-2H3,(H,28,33)