tert-butyl 4-[1-[ethanoyl(methyl)amino]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[ethanoyl(methyl)amino]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-[acetyl(methyl)amino]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[acetyl(methyl)amino]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[acetyl(methyl)amino]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-[acetyl(methyl)amino]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)N1C2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(C)N1C2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N5O3/c1-15(26)22(5)25-17-10-7-6-9-16(17)21-18(25)23-11-8-12-24(14-13-23)19(27)28-20(2,3)4/h6-7,9-10H,8,11-14H2,1-5H3