1-(6-chloranylpyridazin-3-yl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[3-(2-thenoylamino)phenyl]nipecotamide Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H20ClN5O2S/c22-18-8-9-19(26-25-18)27-10-2-4-14(13-27)20(28)23-15-5-1-6-16(12-15)24-21(29)17-7-3-11-30-17/h1,3,5-9,11-12,14H,2,4,10,13H2,(H,23,28)(H,24,29)