N-(1-cyanocyclohexyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]acetamide Formula: C21H29FN4O2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3(CCCCC3)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3(CCCCC3)C#N)F

InChI

InChI=1S/C21H29FN4O2/c1-28-19-6-5-17(13-18(19)22)14-25-9-11-26(12-10-25)15-20(27)24-21(16-23)7-3-2-4-8-21/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,24,27)