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

Systemtic Name: ethyl 6-[4-(4-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoate Openeye Name: ethyl 6-[4-(4-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoate CAS Name: 6-[4-(4-cyanophenyl)-7-ethyl-2-methyl-3-pyrrolo[1,2-b]pyridazinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-cyanophenyl)-7-ethyl-2-methylpyrrolo[1,2-b]pyridazin-3-yl]hexanoate Traditional Name: 6-[4-(4-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]hexanoic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-4-21-15-16-23-25(20-13-11-19(17-26)12-14-20)22(18(3)27-28(21)23)9-7-6-8-10-24(29)30-5-2/h11-16H,4-10H2,1-3H3