ethyl 3-[4-(4-cyano-6-phenyl-pyridazin-3-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-[4-(4-cyano-6-phenyl-pyridazin-3-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[4-(4-cyano-6-phenyl-pyridazin-3-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[4-(4-cyano-6-phenyl-3-pyridazinyl)-1-piperazinyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-cyano-6-phenylpyridazin-3-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[4-(4-cyano-6-phenyl-pyridazin-3-yl)piperazino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)N3CCN(CC3)C4=NN=C(C=C4C#N)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)N3CCN(CC3)C4=NN=C(C=C4C#N)C5=CC=CC=C5

InChI

InChI=1S/C25H30N6O2/c1-2-33-25(32)31-20-8-9-21(31)16-22(15-20)29-10-12-30(13-11-29)24-19(17-26)14-23(27-28-24)18-6-4-3-5-7-18/h3-7,14,20-22H,2,8-13,15-16H2,1H3