ethyl 7-chloranyl-3-(3-fluorophenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxylate

Systemtic Name: ethyl 7-chloranyl-3-(3-fluorophenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxylate Openeye Name: ethyl 7-chloro-3-(3-fluorophenyl)-5-methyl-4-oxo-pyridazino[4,5-b]indole-1-carboxylate CAS Name: 7-chloro-3-(3-fluorophenyl)-5-methyl-4-oxo-1-pyridazino[4,5-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-3-(3-fluorophenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxylate Traditional Name: 7-chloro-3-(3-fluorophenyl)-4-keto-5-methyl-pyridazin[4,5-b]indole-1-carboxylic acid ethyl ester Formula: C20H15ClFN3O3 MolecularWeight: 399.802803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C1C3=C(N2C)C=C(C=C3)Cl)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C1C3=C(N2C)C=C(C=C3)Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H15ClFN3O3/c1-3-28-20(27)17-16-14-8-7-11(21)9-15(14)24(2)18(16)19(26)25(23-17)13-6-4-5-12(22)10-13/h4-10H,3H2,1-2H3