ethyl 6-[4-(4-aminocarbonylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoate

Systemtic Name: ethyl 6-[4-(4-aminocarbonylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoate Openeye Name: ethyl 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoate CAS Name: 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methyl-3-pyrrolo[1,2-b]pyridazinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methylpyrrolo[1,2-b]pyridazin-3-yl]hexanoate Traditional Name: 6-[4-(4-carbamoylphenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid ethyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C2N1N=C(C(=C2C3=CC=C(C=C3)C(=O)N)CCCCCC(=O)OCC)C

Isomeric SMILES

CCC1=CC=C2N1N=C(C(=C2C3=CC=C(C=C3)C(=O)N)CCCCCC(=O)OCC)C

InChI

InChI=1S/C25H31N3O3/c1-4-20-15-16-22-24(18-11-13-19(14-12-18)25(26)30)21(17(3)27-28(20)22)9-7-6-8-10-23(29)31-5-2/h11-16H,4-10H2,1-3H3,(H2,26,30)