N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[[5-(4-bromophenyl)-2-furanyl]methyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-1-pyrazin-2-yl-nipecotamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O2/c22-17-5-3-15(4-6-17)19-8-7-18(28-19)12-25-21(27)16-2-1-11-26(14-16)20-13-23-9-10-24-20/h3-10,13,16H,1-2,11-12,14H2,(H,25,27)