ethyl 1-[2-(4-oxidanylidene-5-propyl-pyridazino[4,5-b]indol-3-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-5-propyl-pyridazino[4,5-b]indol-3-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-oxo-5-propyl-pyridazino[4,5-b]indol-3-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(4-oxo-5-propyl-3-pyridazino[4,5-b]indolyl)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-keto-5-propyl-pyridazin[4,5-b]indol-3-yl)acetyl]isonipecotic acid ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C23H28N4O4/c1-3-11-26-19-8-6-5-7-17(19)18-14-24-27(22(29)21(18)26)15-20(28)25-12-9-16(10-13-25)23(30)31-4-2/h5-8,14,16H,3-4,9-13,15H2,1-2H3