ethyl 3-cyano-5-methyl-4-[[4-(phenylmethyl)phenyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-cyano-5-methyl-4-[[4-(phenylmethyl)phenyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-(4-benzylanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-methyl-4-[4-(phenylmethyl)anilino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-(4-benzylanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2/c1-3-31-25(30)22-16-29-24(17(22)2)23(20(14-26)15-27-29)28-21-11-9-19(10-12-21)13-18-7-5-4-6-8-18/h4-12,15-16,28H,3,13H2,1-2H3