N-[(4-fluorophenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H22FN3O2S/c23-18-5-3-16(4-6-18)15-24-21(27)17-7-12-26(13-8-17)22(28)20-19(9-14-29-20)25-10-1-2-11-25/h1-6,9-11,14,17H,7-8,12-13,15H2,(H,24,27)