2-fluoranyl-6-[4-(3-methoxy-4-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(3-methoxy-4-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(4-isopropoxy-3-methoxy-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(3-methoxy-4-propan-2-yloxybenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(4-isopropoxy-3-methoxy-benzoyl)piperazino]benzonitrile Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC

InChI

InChI=1S/C22H24FN3O3/c1-15(2)29-20-8-7-16(13-21(20)28-3)22(27)26-11-9-25(10-12-26)19-6-4-5-18(23)17(19)14-24/h4-8,13,15H,9-12H2,1-3H3