4-[1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-[4-(2-chloro-4-fluoro-benzyl)piperazino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H21ClFN3O2 MolecularWeight: 401.861743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O2/c1-15(28-19-6-2-16(13-24)3-7-19)21(27)26-10-8-25(9-11-26)14-17-4-5-18(23)12-20(17)22/h2-7,12,15H,8-11,14H2,1H3