1-[3-(4-fluorophenyl)propanoyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-fluorophenyl)propanoyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-[3-(4-fluorophenyl)propanoyl]-N-[(3-methylbenzothiophen-2-yl)methyl]-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[3-(4-fluorophenyl)-1-oxopropyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-fluorophenyl)propanoyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-phenylpiperidine-4-carboxamide Traditional Name: 1-[3-(4-fluorophenyl)propanoyl]-N-[(3-methylbenzothiophen-2-yl)methyl]-4-phenyl-isonipecotamide Formula: C31H31FN2O2S MolecularWeight: 514.653443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CNC(=O)C3(CCN(CC3)C(=O)CCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CNC(=O)C3(CCN(CC3)C(=O)CCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C31H31FN2O2S/c1-22-26-9-5-6-10-27(26)37-28(22)21-33-30(36)31(24-7-3-2-4-8-24)17-19-34(20-18-31)29(35)16-13-23-11-14-25(32)15-12-23/h2-12,14-15H,13,16-21H2,1H3,(H,33,36)