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

Systemtic Name: ethyl 1-[3-(4-methoxyphenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-methoxyphenyl)-5-methyl-4-oxo-pyridazino[4,5-b]indole-1-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(4-methoxyphenyl)-5-methyl-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-keto-3-(4-methoxyphenyl)-5-methyl-pyridazin[4,5-b]indole-1-carbonyl]nipecotic acid ethyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H28N4O5/c1-4-36-27(34)17-8-7-15-30(16-17)25(32)23-22-20-9-5-6-10-21(20)29(2)24(22)26(33)31(28-23)18-11-13-19(35-3)14-12-18/h5-6,9-14,17H,4,7-8,15-16H2,1-3H3