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

Systemtic Name: ethyl 4-[(4-butylphenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-(4-butylanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 4-(4-butylanilino)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butylanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-(4-butylanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C=NN3C2=C(C(=C3)C(=O)OCC)C)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C=NN3C2=C(C(=C3)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H24N4O2/c1-4-6-7-16-8-10-18(11-9-16)25-20-17(12-23)13-24-26-14-19(15(3)21(20)26)22(27)28-5-2/h8-11,13-14,25H,4-7H2,1-3H3