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

Systemtic Name: tert-butyl 4-[1-(4-oxidanylidenepentyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-oxopentyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-(4-oxopentyl)-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-oxopentyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-(4-ketopentyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N4O3/c1-17(27)9-7-14-26-19-11-6-5-10-18(19)23-20(26)24-12-8-13-25(16-15-24)21(28)29-22(2,3)4/h5-6,10-11H,7-9,12-16H2,1-4H3