tert-butyl 5-(pyrrolidin-3-ylcarbamoyl)benzimidazole-1-carboxylate hydrochloride

Systemtic Name: tert-butyl 5-(pyrrolidin-3-ylcarbamoyl)benzimidazole-1-carboxylate hydrochloride Openeye Name: tert-butyl 5-(pyrrolidin-3-ylcarbamoyl)benzimidazole-1-carboxylate hydrochloride CAS Name: 5-[oxo-(3-pyrrolidinylamino)methyl]-1-benzimidazolecarboxylic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl 5-(pyrrolidin-3-ylcarbamoyl)benzimidazole-1-carboxylate hydrochloride Traditional Name: 5-(pyrrolidin-3-ylcarbamoyl)benzimidazole-1-carboxylic acid tert-butyl ester hydrochloride Formula: C17H23ClN4O3 MolecularWeight: 366.84252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)C(=O)NC3CCNC3.Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)C(=O)NC3CCNC3.Cl

InChI

InChI=1S/C17H22N4O3.ClH/c1-17(2,3)24-16(23)21-10-19-13-8-11(4-5-14(13)21)15(22)20-12-6-7-18-9-12;/h4-5,8,10,12,18H,6-7,9H2,1-3H3,(H,20,22);1H