[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 1-(6-chloropyridazin-3-yl)piperidine-3-carboxylate CAS Name: 1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(6-chloropyridazin-3-yl)piperidine-3-carboxylate Traditional Name: 1-(6-chloropyridazin-3-yl)nipecotic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1CCCN(C1)C2=NN=C(C=C2)Cl

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1CCCN(C1)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C18H27ClN4O3/c1-12(2)23(13(3)4)17(24)11-26-18(25)14-6-5-9-22(10-14)16-8-7-15(19)20-21-16/h7-8,12-14H,5-6,9-11H2,1-4H3