3-[4-[2-(4-chloranylphenoxy)piperidin-1-yl]but-1-ynyl]aniline

Systemtic Name: 3-[4-[2-(4-chloranylphenoxy)piperidin-1-yl]but-1-ynyl]aniline Openeye Name: 3-[4-[2-(4-chlorophenoxy)-1-piperidyl]but-1-ynyl]aniline CAS Name: 3-[4-[2-(4-chlorophenoxy)-1-piperidinyl]but-1-ynyl]aniline IUPAC Name: 3-[4-[2-(4-chlorophenoxy)piperidin-1-yl]but-1-ynyl]aniline Traditional Name: [3-[4-[2-(4-chlorophenoxy)piperidino]but-1-ynyl]phenyl]amine Formula: C21H23ClN2O MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)OC2=CC=C(C=C2)Cl)CCC#CC3=CC(=CC=C3)N

Isomeric SMILES

C1CCN(C(C1)OC2=CC=C(C=C2)Cl)CCC#CC3=CC(=CC=C3)N

InChI

InChI=1S/C21H23ClN2O/c22-18-10-12-20(13-11-18)25-21-9-2-4-15-24(21)14-3-1-6-17-7-5-8-19(23)16-17/h5,7-8,10-13,16,21H,2-4,9,14-15,23H2