2-[cycloheptyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[cycloheptyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[cycloheptyl(methyl)amino]ethanone CAS Name: 2-[cycloheptyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[cycloheptyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[cycloheptyl(methyl)amino]ethanone Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3)C4CCCCCC4

Isomeric SMILES

CN(CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3)C4CCCCCC4

InChI

InChI=1S/C21H27N3OS2/c1-23(16-8-4-2-3-5-9-16)15-21(25)24-18(20-11-7-13-27-20)14-17(22-24)19-10-6-12-26-19/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3