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

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C25H26N6OS MolecularWeight: 458.57854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C25H26N6OS/c1-29(17-19-16-26-31(18-19)21-6-3-2-4-7-21)25(32)20-11-13-30(14-12-20)24-10-9-22(27-28-24)23-8-5-15-33-23/h2-10,15-16,18,20H,11-14,17H2,1H3