ethyl 1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1-methyl-6-oxo-pyridazine-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-6-oxopyridazine-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(6-keto-1-methyl-pyridazine-3-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-3-30-22(29)23(13-7-10-18-8-5-4-6-9-18)14-16-26(17-15-23)21(28)19-11-12-20(27)25(2)24-19/h4-6,8-9,11-12H,3,7,10,13-17H2,1-2H3