tert-butyl 4-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-isopropoxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-(2-propan-2-yloxyethyl)-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-(2-isopropoxyethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)OCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O3/c1-17(2)28-16-15-26-19-10-7-6-9-18(19)23-20(26)24-11-8-12-25(14-13-24)21(27)29-22(3,4)5/h6-7,9-10,17H,8,11-16H2,1-5H3