ethyl 4-[[1-ethyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-ethyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-ethyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-ethyl-5-[(3-methyl-1-oxobutyl)amino]-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-ethyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-ethyl-5-(isovalerylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H33N5O3/c1-5-27-19-8-7-17(23-21(28)13-16(3)4)14-18(19)24-20(27)15-25-9-11-26(12-10-25)22(29)30-6-2/h7-8,14,16H,5-6,9-13,15H2,1-4H3,(H,23,28)