N-[6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Openeye Name: N-[6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide CAS Name: N-[6-[[4-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxobutyl]thio]-3-pyridazinyl]cyclopropanecarboxamide IUPAC Name: N-[6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Traditional Name: N-[6-[[4-[4-(4-fluorophenyl)piperazino]-4-keto-butyl]thio]pyridazin-3-yl]cyclopropanecarboxamide Formula: C22H26FN5O2S MolecularWeight: 443.537543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5O2S/c23-17-5-7-18(8-6-17)27-11-13-28(14-12-27)21(29)2-1-15-31-20-10-9-19(25-26-20)24-22(30)16-3-4-16/h5-10,16H,1-4,11-15H2,(H,24,25,30)