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

Systemtic Name: ethyl 5-(azidomethyl)-3-cyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 5-(azidomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C24H19N7O3 MolecularWeight: 453.45276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1CN=[N+]=[N-])C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1CN=[N+]=[N-])C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H19N7O3/c1-2-33-24(32)21-15-31-23(20(21)14-27-30-26)22(16(12-25)13-28-31)29-17-8-10-19(11-9-17)34-18-6-4-3-5-7-18/h3-11,13,15,29H,2,14H2,1H3