tert-butyl 3-(imidazol-1-ylmethyl)azepane-1-carboxylate

Systemtic Name: tert-butyl 3-(imidazol-1-ylmethyl)azepane-1-carboxylate Openeye Name: tert-butyl 3-(imidazol-1-ylmethyl)azepane-1-carboxylate CAS Name: 3-(1-imidazolylmethyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(imidazol-1-ylmethyl)azepane-1-carboxylate Traditional Name: 3-(imidazol-1-ylmethyl)azepane-1-carboxylic acid tert-butyl ester Formula: C15H25N3O2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC(C1)CN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC(C1)CN2C=CN=C2

InChI

InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-8-5-4-6-13(11-18)10-17-9-7-16-12-17/h7,9,12-13H,4-6,8,10-11H2,1-3H3