1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCC2)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCC2)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-16-14-25(12-13-26(16)22(28)18-8-5-9-18)21(27)15-29-20-11-10-19(23-24-20)17-6-3-2-4-7-17/h2-4,6-7,10-11,16,18H,5,8-9,12-15H2,1H3