N-[4'-[4-(4-cyano-3-fluoranyl-phenyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]ethanamide; methanesulfonic acid

Systemtic Name: N-[4'-[4-(4-cyano-3-fluoranyl-phenyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]ethanamide; methanesulfonic acid Openeye Name: N-[4-[4-(4-cyano-3-fluoro-phenyl)piperazin-1-yl]spiro[cyclohexane-1,3'-indane]-1'-yl]acetamide; methanesulfonic acid CAS Name: N-[4'-[4-(4-cyano-3-fluorophenyl)-1-piperazinyl]-1-spiro[1,2-dihydroindene-3,1'-cyclohexane]yl]acetamide; methanesulfonic acid IUPAC Name: N-[4'-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide; methanesulfonic acid Traditional Name: N-[4-[4-(4-cyano-3-fluoro-phenyl)piperazino]spiro[cyclohexane-1,3'-indane]-1'-yl]acetamide; mesylic acid Formula: C28H35FN4O4S MolecularWeight: 542.665303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC2(CCC(CC2)N3CCN(CC3)C4=CC(=C(C=C4)C#N)F)C5=CC=CC=C15.CS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1CC2(CCC(CC2)N3CCN(CC3)C4=CC(=C(C=C4)C#N)F)C5=CC=CC=C15.CS(=O)(=O)O

InChI

InChI=1S/C27H31FN4O.CH4O3S/c1-19(33)30-26-17-27(24-5-3-2-4-23(24)26)10-8-21(9-11-27)31-12-14-32(15-13-31)22-7-6-20(18-29)25(28)16-22;1-5(2,3)4/h2-7,16,21,26H,8-15,17H2,1H3,(H,30,33);1H3,(H,2,3,4)