3-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-4-methoxy-benzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-4-methoxy-benzenecarbonitrile Openeye Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-4-methoxy-benzonitrile CAS Name: 3-[[4-[2-(4-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]-4-methoxybenzonitrile IUPAC Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-4-methoxybenzonitrile Traditional Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-4-methoxy-benzonitrile Formula: C21H22ClN3O2 MolecularWeight: 383.87128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-27-20-7-4-17(15-23)14-19(20)21(26)25-12-10-24(11-13-25)9-8-16-2-5-18(22)6-3-16/h2-7,14H,8-13H2,1H3