1-[4-(4-chlorophenyl)-1-propyl-3,4-dihydroisochromen-1-yl]-4-(4-fluorophenyl)piperazine

Systemtic Name: 1-[4-(4-chlorophenyl)-1-propyl-3,4-dihydroisochromen-1-yl]-4-(4-fluorophenyl)piperazine Openeye Name: 1-[4-(4-chlorophenyl)-1-propyl-isochroman-1-yl]-4-(4-fluorophenyl)piperazine CAS Name: 1-[4-(4-chlorophenyl)-1-propyl-3,4-dihydro-1H-2-benzopyran-1-yl]-4-(4-fluorophenyl)piperazine IUPAC Name: 1-[4-(4-chlorophenyl)-1-propyl-3,4-dihydroisochromen-1-yl]-4-(4-fluorophenyl)piperazine Traditional Name: 1-[4-(4-chlorophenyl)-1-propyl-isochroman-1-yl]-4-(4-fluorophenyl)piperazine Formula: C28H30ClFN2O MolecularWeight: 465.002003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2C(CO1)C3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC1(C2=CC=CC=C2C(CO1)C3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H30ClFN2O/c1-2-15-28(32-18-16-31(17-19-32)24-13-11-23(30)12-14-24)27-6-4-3-5-25(27)26(20-33-28)21-7-9-22(29)10-8-21/h3-14,26H,2,15-20H2,1H3