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

Systemtic Name: N-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-5-(2-methylpropyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-5-isobutyl-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[2-[4-(2,4-dimethylphenyl)-1-piperazinyl]ethyl]-5-(2-methylpropyl)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide Traditional Name: N-[2-[4-(2,4-dimethylphenyl)piperazino]ethyl]-5-isobutyl-1-phenyl-pyrazole-3-carboxamide Formula: C28H37N5O MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)CCNC(=O)C3=NN(C(=C3)CC(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CCNC(=O)C3=NN(C(=C3)CC(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H37N5O/c1-21(2)18-25-20-26(30-33(25)24-8-6-5-7-9-24)28(34)29-12-13-31-14-16-32(17-15-31)27-11-10-22(3)19-23(27)4/h5-11,19-21H,12-18H2,1-4H3,(H,29,34)