1-(6-chloranylpyridazin-3-yl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[3-(2-thenoylamino)phenyl]isonipecotamide Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)C4=NN=C(C=C4)Cl

InChI

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