butyl 4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]diazenyl]benzoate

Systemtic Name: butyl 4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]diazenyl]benzoate Openeye Name: butyl 4-[4-(4-hexanoylpiperazin-1-yl)phenyl]azobenzoate CAS Name: 4-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]azobenzoic acid butyl ester IUPAC Name: butyl 4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]diazenyl]benzoate Traditional Name: 4-[4-(4-caproylpiperazino)phenyl]azobenzoic acid butyl ester Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C(=O)OCCCC

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C(=O)OCCCC

InChI

InChI=1S/C27H36N4O3/c1-3-5-7-8-26(32)31-19-17-30(18-20-31)25-15-13-24(14-16-25)29-28-23-11-9-22(10-12-23)27(33)34-21-6-4-2/h9-16H,3-8,17-21H2,1-2H3