N-(4-bromanyl-3-methyl-phenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)Br

InChI

InChI=1S/C21H21BrN4OS/c1-14-13-16(4-5-17(14)22)23-21(27)15-8-10-26(11-9-15)20-7-6-18(24-25-20)19-3-2-12-28-19/h2-7,12-13,15H,8-11H2,1H3,(H,23,27)