N-(4-aminocarbonylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-(4-carbamoylphenyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(4-carbamoylphenyl)-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(4-carbamoylphenyl)-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)N)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)N)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N5O2S/c22-20(27)14-3-5-16(6-4-14)23-21(28)15-9-11-26(12-10-15)19-8-7-17(24-25-19)18-2-1-13-29-18/h1-8,13,15H,9-12H2,(H2,22,27)(H,23,28)