[2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [2-(2,5-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c1-20-10-11-21(2)24(17-20)31-25(18-23(28-31)26-9-6-16-33-26)27(32)30-14-12-29(13-15-30)19-22-7-4-3-5-8-22/h3-11,16-18H,12-15,19H2,1-2H3