N-[(4-bromophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromobenzyl)-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Br)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Br)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C21H21BrN4OS/c22-17-5-3-15(4-6-17)14-23-21(27)16-9-11-26(12-10-16)20-8-7-18(24-25-20)19-2-1-13-28-19/h1-8,13,16H,9-12,14H2,(H,23,27)