2-[5-chloranyl-4-[(3S)-3-methylpiperidin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoic acid

Systemtic Name: 2-[5-chloranyl-4-[(3S)-3-methylpiperidin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoic acid Openeye Name: 2-[5-chloro-4-[(3S)-3-methyl-1-piperidyl]-6-oxo-pyridazin-1-yl]benzoic acid CAS Name: 2-[5-chloro-4-[(3S)-3-methyl-1-piperidinyl]-6-oxo-1-pyridazinyl]benzoic acid IUPAC Name: 2-[5-chloro-4-[(3S)-3-methylpiperidin-1-yl]-6-oxopyridazin-1-yl]benzoic acid Traditional Name: 2-[5-chloro-6-keto-4-[(3S)-3-methylpiperidino]pyridazin-1-yl]benzoic acid Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-11-5-4-8-20(10-11)14-9-19-21(16(22)15(14)18)13-7-3-2-6-12(13)17(23)24/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,23,24)/t11-/m0/s1