4-[[4-[2-(3-chloranylphenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-chloranylphenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-chlorophenoxy)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-chlorophenoxy)propanoyl]piperazino]methyl]benzonitrile Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OC3=CC(=CC=C3)Cl

InChI

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