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

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C22H23BrN4O MolecularWeight: 439.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Br)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Br)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C22H23BrN4O/c23-19-6-3-5-17(15-19)16-25-22(28)18-8-13-27(14-9-18)21-20(7-4-10-24-21)26-11-1-2-12-26/h1-7,10-12,15,18H,8-9,13-14,16H2,(H,25,28)