2-[1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 2-[1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[2-[4-(3-chlorobenzyl)piperazino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl)OC3=CC=CC=C3C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl)OC3=CC=CC=C3C#N

InChI

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