(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[6-(p-tolyl)pyridazin-3-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-(4-methylphenyl)-3-pyridazinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-(p-tolyl)pyridazin-3-yl]nipecotate Formula: C17H18N3O2- MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C17H19N3O2/c1-12-4-6-13(7-5-12)15-8-9-16(19-18-15)20-10-2-3-14(11-20)17(21)22/h4-9,14H,2-3,10-11H2,1H3,(H,21,22)/p-1/t14-/m0/s1