ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carbonyl]isonipecotic acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H28N4O4/c1-4-35-27(34)18-13-15-30(16-14-18)25(32)23-22-20-7-5-6-8-21(20)29(3)24(22)26(33)31(28-23)19-11-9-17(2)10-12-19/h5-12,18H,4,13-16H2,1-3H3