1-(1-ethyl-4-phenyl-3,4-dihydroisochromen-1-yl)-4-(4-fluorophenyl)piperazine hydrochloride

Systemtic Name: 1-(1-ethyl-4-phenyl-3,4-dihydroisochromen-1-yl)-4-(4-fluorophenyl)piperazine hydrochloride Openeye Name: 1-(1-ethyl-4-phenyl-isochroman-1-yl)-4-(4-fluorophenyl)piperazine hydrochloride CAS Name: 1-(1-ethyl-4-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)-4-(4-fluorophenyl)piperazine hydrochloride IUPAC Name: 1-(1-ethyl-4-phenyl-3,4-dihydroisochromen-1-yl)-4-(4-fluorophenyl)piperazine hydrochloride Traditional Name: 1-(1-ethyl-4-phenyl-isochroman-1-yl)-4-(4-fluorophenyl)piperazine hydrochloride Formula: C27H30ClFN2O MolecularWeight: 452.991303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(CO1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F.Cl

Isomeric SMILES

CCC1(C2=CC=CC=C2C(CO1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F.Cl

InChI

InChI=1S/C27H29FN2O.ClH/c1-2-27(30-18-16-29(17-19-30)23-14-12-22(28)13-15-23)26-11-7-6-10-24(26)25(20-31-27)21-8-4-3-5-9-21;/h3-15,25H,2,16-20H2,1H3;1H