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

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-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=C2)Br)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

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

InChI

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