N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]cyclohexanecarboxamide Formula: C21H30FN3O3 MolecularWeight: 391.479603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CNC(=O)C3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CNC(=O)C3CCCCC3)F

InChI

InChI=1S/C21H30FN3O3/c1-28-19-8-7-16(13-18(19)22)15-24-9-11-25(12-10-24)20(26)14-23-21(27)17-5-3-2-4-6-17/h7-8,13,17H,2-6,9-12,14-15H2,1H3,(H,23,27)