benzotriazol-1-yl 4-[2-[4-(4-cyclohexylphenyl)piperazin-1-yl]ethyl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[2-[4-(4-cyclohexylphenyl)piperazin-1-yl]ethyl]benzoate Openeye Name: benzotriazol-1-yl 4-[2-[4-(4-cyclohexylphenyl)piperazin-1-yl]ethyl]benzoate CAS Name: 4-[2-[4-(4-cyclohexylphenyl)-1-piperazinyl]ethyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[2-[4-(4-cyclohexylphenyl)piperazin-1-yl]ethyl]benzoate Traditional Name: 4-[2-[4-(4-cyclohexylphenyl)piperazino]ethyl]benzoic acid benzotriazol-1-yl ester Formula: C31H35N5O2 MolecularWeight: 509.6419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)CCC4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)CCC4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H35N5O2/c37-31(38-36-30-9-5-4-8-29(30)32-33-36)27-12-10-24(11-13-27)18-19-34-20-22-35(23-21-34)28-16-14-26(15-17-28)25-6-2-1-3-7-25/h4-5,8-17,25H,1-3,6-7,18-23H2