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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3/c1-5-7-21(28)23-17-8-9-19-18(14-17)24-20(27(19)16(3)4)15-25-10-12-26(13-11-25)22(29)30-6-2/h8-9,14,16H,5-7,10-13,15H2,1-4H3,(H,23,28)