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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1C2=CC=C(C=C2)Cl)C(=O)C3=C(C=CC(=C3)C#N)OC

Isomeric SMILES

CCN1CCN(CC1C2=CC=C(C=C2)Cl)C(=O)C3=C(C=CC(=C3)C#N)OC

InChI

InChI=1S/C21H22ClN3O2/c1-3-24-10-11-25(14-19(24)16-5-7-17(22)8-6-16)21(26)18-12-15(13-23)4-9-20(18)27-2/h4-9,12,19H,3,10-11,14H2,1-2H3