1-(6-chloranylpyridazin-3-yl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-(2-phenyl-2-pyrrolidino-ethyl)nipecotamide Formula: C22H28ClN5O MolecularWeight: 413.94362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H28ClN5O/c23-20-10-11-21(26-25-20)28-14-6-9-18(16-28)22(29)24-15-19(27-12-4-5-13-27)17-7-2-1-3-8-17/h1-3,7-8,10-11,18-19H,4-6,9,12-16H2,(H,24,29)