benzotriazol-1-yl 4-[4-(4-cyclohexyloxyphenyl)piperazin-1-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-(4-cyclohexyloxyphenyl)piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-[4-(cyclohexoxy)phenyl]piperazin-1-yl]benzoate CAS Name: 4-[4-(4-cyclohexyloxyphenyl)-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(4-cyclohexyloxyphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(cyclohexoxy)phenyl]piperazino]benzoic acid benzotriazol-1-yl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H31N5O3/c35-29(37-34-28-9-5-4-8-27(28)30-31-34)22-10-12-23(13-11-22)32-18-20-33(21-19-32)24-14-16-26(17-15-24)36-25-6-2-1-3-7-25/h4-5,8-17,25H,1-3,6-7,18-21H2