2-[4-(3,4-dihydro-2H-chromen-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(3,4-dihydro-2H-chromen-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(chromane-3-carbonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[3,4-dihydro-2H-1-benzopyran-3-yl(oxo)methyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(chroman-3-carbonyl)piperazino]-6-fluoro-benzonitrile Formula: C21H20FN3O2 MolecularWeight: 365.400803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H20FN3O2/c22-18-5-3-6-19(17(18)13-23)24-8-10-25(11-9-24)21(26)16-12-15-4-1-2-7-20(15)27-14-16/h1-7,16H,8-12,14H2