3-phenylpropyl 3-(5-chloranyl-2-cyano-phenoxy)piperazine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-(5-chloranyl-2-cyano-phenoxy)piperazine-1-carboxylate Openeye Name: 3-phenylpropyl 3-(5-chloro-2-cyano-phenoxy)piperazine-1-carboxylate CAS Name: 3-(5-chloro-2-cyanophenoxy)-1-piperazinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-(5-chloro-2-cyanophenoxy)piperazine-1-carboxylate Traditional Name: 3-(5-chloro-2-cyano-phenoxy)piperazine-1-carboxylic acid 3-phenylpropyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)OC2=C(C=CC(=C2)Cl)C#N)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)OC2=C(C=CC(=C2)Cl)C#N)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3/c22-18-9-8-17(14-23)19(13-18)28-20-15-25(11-10-24-20)21(26)27-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,20,24H,4,7,10-12,15H2