2-[2-cyanoethyl(phenyl)amino]ethyl 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylate

Systemtic Name: 2-[2-cyanoethyl(phenyl)amino]ethyl 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylate Openeye Name: 2-[N-(2-cyanoethyl)anilino]ethyl 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinecarboxylic acid 2-[N-(2-cyanoethyl)anilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)anilino]ethyl 4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylic acid 2-[N-(2-cyanoethyl)anilino]ethyl ester Formula: C29H31ClN4O2 MolecularWeight: 503.03504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCCN(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCCN(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C29H31ClN4O2/c30-26-14-12-25(13-15-26)28(24-8-3-1-4-9-24)33-18-20-34(21-19-33)29(35)36-23-22-32(17-7-16-31)27-10-5-2-6-11-27/h1-6,8-15,28H,7,17-23H2