N-(3-cyanophenyl)-3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]propionamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC=CC(=C3)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC=CC(=C3)C#N)F

InChI

InChI=1S/C22H25FN4O2/c1-29-21-6-5-18(14-20(21)23)16-27-11-9-26(10-12-27)8-7-22(28)25-19-4-2-3-17(13-19)15-24/h2-6,13-14H,7-12,16H2,1H3,(H,25,28)