N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2-fluorophenyl)methyl-methyl-amino]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2-fluorophenyl)methyl-methyl-amino]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(2-fluorophenyl)methyl-methyl-amino]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(2-fluorobenzyl)-methyl-amino]propionamide Formula: C20H22FN3OS MolecularWeight: 371.471583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC=CC=C3F

Isomeric SMILES

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3OS/c1-24(13-14-6-2-4-8-17(14)21)11-10-19(25)23-20-16(12-22)15-7-3-5-9-18(15)26-20/h2,4,6,8H,3,5,7,9-11,13H2,1H3,(H,23,25)