2-[[[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]amino]-(2-methoxyethylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]amino]-(2-methoxyethylamino)methylidene]propanedinitrile Openeye Name: 2-[[[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]methyl]cyclohexyl]amino]-(2-methoxyethylamino)methylene]propanedinitrile CAS Name: 2-[[[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]cyclohexyl]amino]-(2-methoxyethylamino)methylidene]propanedinitrile IUPAC Name: 2-[[[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]amino]-(2-methoxyethylamino)methylidene]propanedinitrile Traditional Name: 2-[[[(1R,2S)-2-[[(3S)-3-(4-fluorobenzyl)piperidino]methyl]cyclohexyl]amino]-(2-methoxyethylamino)methylene]malononitrile Formula: C26H36FN5O MolecularWeight: 453.595343

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=C(C#N)C#N)NC1CCCCC1CN2CCCC(C2)CC3=CC=C(C=C3)F

Isomeric SMILES

COCCNC(=C(C#N)C#N)N[C@@H]1CCCC[C@H]1CN2CCC[C@H](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C26H36FN5O/c1-33-14-12-30-26(23(16-28)17-29)31-25-7-3-2-6-22(25)19-32-13-4-5-21(18-32)15-20-8-10-24(27)11-9-20/h8-11,21-22,25,30-31H,2-7,12-15,18-19H2,1H3/t21-,22-,25+/m0/s1