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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)Cl)CCC#CC3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)Cl)CCC#CC3=CC(=CC=C3)N

InChI

InChI=1S/C21H23ClN2O/c22-18-7-9-20(10-8-18)25-21-11-14-24(15-12-21)13-2-1-4-17-5-3-6-19(23)16-17/h3,5-10,16,21H,2,11-15,23H2