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

Systemtic Name: N-[(2-bromophenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(2-bromophenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2-bromophenyl)methyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-bromophenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-bromobenzyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2Br)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2Br)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H22BrN3O2S/c23-18-6-2-1-5-17(18)15-24-21(27)16-7-12-26(13-8-16)22(28)20-19(9-14-29-20)25-10-3-4-11-25/h1-6,9-11,14,16H,7-8,12-13,15H2,(H,24,27)