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

Systemtic Name: benzotriazol-1-yl 4-[4-(4-pentylcyclohexyl)piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-(4-pentylcyclohexyl)piperazin-1-yl]benzoate CAS Name: 4-[4-(4-pentylcyclohexyl)-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(4-pentylcyclohexyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(4-amylcyclohexyl)piperazino]benzoic acid benzotriazol-1-yl ester Formula: C28H37N5O2 MolecularWeight: 475.62568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCC1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H37N5O2/c1-2-3-4-7-22-10-14-24(15-11-22)31-18-20-32(21-19-31)25-16-12-23(13-17-25)28(34)35-33-27-9-6-5-8-26(27)29-30-33/h5-6,8-9,12-13,16-17,22,24H,2-4,7,10-11,14-15,18-21H2,1H3