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

Systemtic Name: ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(isovalerylamino)-1-methyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-5-29-21(28)26-10-8-25(9-11-26)14-19-23-17-13-16(6-7-18(17)24(19)4)22-20(27)12-15(2)3/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,27)