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

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5OS/c1-4-29(5-2)20-8-9-21(18(3)17-20)26-25(31)19-12-14-30(15-13-19)24-11-10-22(27-28-24)23-7-6-16-32-23/h6-11,16-17,19H,4-5,12-15H2,1-3H3,(H,26,31)