ethyl 4-[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-methyl-6-(1-oxopropylamino)-2-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(2-benzyl-3-methyl-6-propionamido-benzimidazole-4-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)OCC)N(C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)OCC)N(C(=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N5O4/c1-4-23(32)27-19-16-20(25(33)30-11-13-31(14-12-30)26(34)35-5-2)24-21(17-19)28-22(29(24)3)15-18-9-7-6-8-10-18/h6-10,16-17H,4-5,11-15H2,1-3H3,(H,27,32)