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

Systemtic Name: ethyl 4-[[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-methyl-5-(1-oxobutylamino)-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(butanoylamino)-1-methylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[(5-butyramido-1-methyl-benzimidazol-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCN(CC3)C(=O)OCC)C

InChI

InChI=1S/C20H29N5O3/c1-4-6-19(26)21-15-7-8-17-16(13-15)22-18(23(17)3)14-24-9-11-25(12-10-24)20(27)28-5-2/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,21,26)