ethyl 5-[4-(3-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]pentanoate

Systemtic Name: ethyl 5-[4-(3-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[4-(3-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]pentanoate CAS Name: 5-[4-(3-cyanophenyl)-7-ethyl-2-methyl-3-pyrrolo[1,2-b]pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-cyanophenyl)-7-ethyl-2-methylpyrrolo[1,2-b]pyridazin-3-yl]pentanoate Traditional Name: 5-[4-(3-cyanophenyl)-7-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl]valeric acid ethyl ester Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-4-20-13-14-22-24(19-10-8-9-18(15-19)16-25)21(17(3)26-27(20)22)11-6-7-12-23(28)29-5-2/h8-10,13-15H,4-7,11-12H2,1-3H3