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

Systemtic Name: ethyl 1-[3-(3-chloranyl-4-methoxy-phenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-chloro-4-methoxy-phenyl)-5-methyl-4-oxo-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-chloro-4-methoxy-phenyl)-4-keto-5-methyl-pyridazin[4,5-b]indole-1-carbonyl]isonipecotic acid ethyl ester Formula: C27H27ClN4O5 MolecularWeight: 522.98008

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O5/c1-4-37-27(35)16-11-13-31(14-12-16)25(33)23-22-18-7-5-6-8-20(18)30(2)24(22)26(34)32(29-23)17-9-10-21(36-3)19(28)15-17/h5-10,15-16H,4,11-14H2,1-3H3