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

Systemtic Name: benzotriazol-1-yl 4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate CAS Name: 4-[4-(4-cyclohexylcyclohexyl)-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(4-cyclohexylcyclohexyl)piperazino]benzoic acid benzotriazol-1-yl ester Formula: C29H37N5O2 MolecularWeight: 487.63638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H37N5O2/c35-29(36-34-28-9-5-4-8-27(28)30-31-34)24-12-16-26(17-13-24)33-20-18-32(19-21-33)25-14-10-23(11-15-25)22-6-2-1-3-7-22/h4-5,8-9,12-13,16-17,22-23,25H,1-3,6-7,10-11,14-15,18-21H2