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

Systemtic Name: ethyl 4-[[5-(2-methylpropanoylamino)-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-isopropyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(2-methyl-1-oxopropyl)amino]-1-propan-2-yl-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-methylpropanoylamino)-1-propan-2-ylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(isobutyrylamino)-1-isopropyl-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:

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

Isomeric SMILES

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

InChI

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