ethyl 3-[4-(3-cyano-5-phenyl-pyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-[4-(3-cyano-5-phenyl-pyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[4-(3-cyano-5-phenyl-2-pyridyl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[4-(3-cyano-5-phenyl-2-pyridinyl)-1-piperazinyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-cyano-5-phenylpyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[4-(3-cyano-5-phenyl-2-pyridyl)piperazino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c1-2-33-26(32)31-22-8-9-23(31)16-24(15-22)29-10-12-30(13-11-29)25-20(17-27)14-21(18-28-25)19-6-4-3-5-7-19/h3-7,14,18,22-24H,2,8-13,15-16H2,1H3