ethyl 3-isocyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-isocyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-isocyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-isocyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-isocyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)[N+]#[C-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)[N+]#[C-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O3/c1-4-30-24(29)20-15-28-23(16(20)2)22(21(25-3)14-26-28)27-17-10-12-19(13-11-17)31-18-8-6-5-7-9-18/h5-15,27H,4H2,1-2H3