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

Systemtic Name: [2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [2-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]-(4-ethylpiperazino)methanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CS4

InChI

InChI=1S/C22H26N4OS/c1-4-24-9-11-25(12-10-24)22(27)20-15-18(21-6-5-13-28-21)23-26(20)19-14-16(2)7-8-17(19)3/h5-8,13-15H,4,9-12H2,1-3H3