benzotriazol-1-yl 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoate CAS Name: 4-[4-(3-hexoxyphenyl)-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(3-hexoxyphenyl)piperazino]benzoic acid benzotriazol-1-yl ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H33N5O3/c1-2-3-4-7-21-36-26-10-8-9-25(22-26)33-19-17-32(18-20-33)24-15-13-23(14-16-24)29(35)37-34-28-12-6-5-11-27(28)30-31-34/h5-6,8-16,22H,2-4,7,17-21H2,1H3