ethyl 1-[[3-(5-methyl-1,2,3,4-tetrazol-2-yl)-1-adamantyl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(5-methyl-1,2,3,4-tetrazol-2-yl)-1-adamantyl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(5-methyltetrazol-2-yl)adamantane-1-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(5-methyl-2-tetrazolyl)-1-adamantyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(5-methyltetrazol-2-yl)adamantane-1-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(5-methyltetrazol-2-yl)adamantane-1-carbonyl]isonipecotic acid ethyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C

InChI

InChI=1S/C21H31N5O3/c1-3-29-18(27)17-4-6-25(7-5-17)19(28)20-9-15-8-16(10-20)12-21(11-15,13-20)26-23-14(2)22-24-26/h15-17H,3-13H2,1-2H3