3-[2-(4-fluorophenyl)ethynyl]-4-(oxan-2-yloxymethyl)cyclohexa-1,3-dien-1-amine

Systemtic Name: 3-[2-(4-fluorophenyl)ethynyl]-4-(oxan-2-yloxymethyl)cyclohexa-1,3-dien-1-amine Openeye Name: 3-[2-(4-fluorophenyl)ethynyl]-4-(tetrahydropyran-2-yloxymethyl)cyclohexa-1,3-dien-1-amine CAS Name: 3-[2-(4-fluorophenyl)ethynyl]-4-(2-oxanyloxymethyl)-1-cyclohexa-1,3-dienamine IUPAC Name: 3-[2-(4-fluorophenyl)ethynyl]-4-(oxan-2-yloxymethyl)cyclohexa-1,3-dien-1-amine Traditional Name: [3-[2-(4-fluorophenyl)ethynyl]-4-(tetrahydropyran-2-yloxymethyl)cyclohexa-1,3-dien-1-yl]amine Formula: C20H22FNO2 MolecularWeight: 327.392583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=C(C=C(CC2)N)C#CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCOC(C1)OCC2=C(C=C(CC2)N)C#CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO2/c21-18-9-5-15(6-10-18)4-7-16-13-19(22)11-8-17(16)14-24-20-3-1-2-12-23-20/h5-6,9-10,13,20H,1-3,8,11-12,14,22H2