(3-chloranyl-1-benzothiophen-2-yl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]methanone Formula: C25H25ClN4OS MolecularWeight: 465.0102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H25ClN4OS/c1-17-21(18(2)30(27-17)19-8-4-3-5-9-19)16-28-12-14-29(15-13-28)25(31)24-23(26)20-10-6-7-11-22(20)32-24/h3-11H,12-16H2,1-2H3