ethyl 1-[3-(6-oxidanylidene-1H-pyridazin-3-yl)propanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(6-oxidanylidene-1H-pyridazin-3-yl)propanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(6-oxo-1H-pyridazin-3-yl)propyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[3-(6-keto-1H-pyridazin-3-yl)propanoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NNC(=O)C=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NNC(=O)C=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4/c1-2-31-23(30)24(14-6-9-19-7-4-3-5-8-19)15-17-27(18-16-24)22(29)13-11-20-10-12-21(28)26-25-20/h3-5,7-8,10,12H,2,6,9,11,13-18H2,1H3,(H,26,28)