1-(6-chloranylpyridazin-3-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[1-(4-propionamidophenyl)ethyl]nipecotamide Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN5O2/c1-3-20(28)24-17-8-6-15(7-9-17)14(2)23-21(29)16-5-4-12-27(13-16)19-11-10-18(22)25-26-19/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,23,29)(H,24,28)