ethyl 3-[4-(benzotriazol-1-yl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-[4-(benzotriazol-1-yl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[4-(benzotriazol-1-yl)-1-piperidyl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[4-(1-benzotriazolyl)-1-piperidinyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(benzotriazol-1-yl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[4-(benzotriazol-1-yl)piperidino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)N3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)N3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H29N5O2/c1-2-28-21(27)25-16-7-8-17(25)14-18(13-16)24-11-9-15(10-12-24)26-20-6-4-3-5-19(20)22-23-26/h3-6,15-18H,2,7-14H2,1H3