ethyl 4-[[1-methyl-5-(propanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-methyl-5-(propanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-methyl-5-(propanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-methyl-5-(1-oxopropylamino)-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-methyl-5-(propanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-methyl-5-propionamido-benzimidazol-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C

InChI

InChI=1S/C19H27N5O3/c1-4-18(25)20-14-6-7-16-15(12-14)21-17(22(16)3)13-23-8-10-24(11-9-23)19(26)27-5-2/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,25)