N-(3-cyanothiophen-2-yl)-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[cyclohexyl-(4-fluorobenzyl)amino]propionamide Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)N(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS/c22-18-8-6-16(7-9-18)15-25(19-4-2-1-3-5-19)12-10-20(26)24-21-17(14-23)11-13-27-21/h6-9,11,13,19H,1-5,10,12,15H2,(H,24,26)