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

Systemtic Name: ethyl 4-[[5-(3-methylbutanoylamino)-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-isopropyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(3-methyl-1-oxobutyl)amino]-1-propan-2-yl-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-methylbutanoylamino)-1-propan-2-ylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-isopropyl-5-(isovalerylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)CC(C)C

InChI

InChI=1S/C23H35N5O3/c1-6-31-23(30)27-11-9-26(10-12-27)15-21-25-19-14-18(24-22(29)13-16(2)3)7-8-20(19)28(21)17(4)5/h7-8,14,16-17H,6,9-13,15H2,1-5H3,(H,24,29)