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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [2-(2,4-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-(2,4-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3OS/c1-20-10-11-25(21(2)17-20)31-26(19-24(29-31)27-9-6-16-33-27)28(32)30-14-12-23(13-15-30)18-22-7-4-3-5-8-22/h3-11,16-17,19,23H,12-15,18H2,1-2H3