N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[2-(piperonylcarbamoyl)phenyl]isonipecotamide Formula: C25H24ClN5O4 MolecularWeight: 493.94216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NN=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NN=C(C=C5)Cl

InChI

InChI=1S/C25H24ClN5O4/c26-22-7-8-23(30-29-22)31-11-9-17(10-12-31)24(32)28-19-4-2-1-3-18(19)25(33)27-14-16-5-6-20-21(13-16)35-15-34-20/h1-8,13,17H,9-12,14-15H2,(H,27,33)(H,28,32)