tert-butyl 5-(1-azanylpyrrolidin-2-yl)carbonylbenzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-(1-azanylpyrrolidin-2-yl)carbonylbenzimidazole-1-carboxylate Openeye Name: tert-butyl 5-(1-aminopyrrolidine-2-carbonyl)benzimidazole-1-carboxylate CAS Name: 5-[(1-amino-2-pyrrolidinyl)-oxomethyl]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-aminopyrrolidine-2-carbonyl)benzimidazole-1-carboxylate Traditional Name: 5-(1-aminoprolyl)benzimidazole-1-carboxylic acid tert-butyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)C(=O)C3CCCN3N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)C(=O)C3CCCN3N

InChI

InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)20-10-19-12-9-11(6-7-13(12)20)15(22)14-5-4-8-21(14)18/h6-7,9-10,14H,4-5,8,18H2,1-3H3