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

Systemtic Name: 1-(3-chlorophenyl)-4-(1-ethyl-4-phenyl-3,4-dihydroisochromen-1-yl)piperazine hydrochloride Openeye Name: 1-(3-chlorophenyl)-4-(1-ethyl-4-phenyl-isochroman-1-yl)piperazine hydrochloride CAS Name: 1-(3-chlorophenyl)-4-(1-ethyl-4-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)piperazine hydrochloride IUPAC Name: 1-(3-chlorophenyl)-4-(1-ethyl-4-phenyl-3,4-dihydroisochromen-1-yl)piperazine hydrochloride Traditional Name: 1-(3-chlorophenyl)-4-(1-ethyl-4-phenyl-isochroman-1-yl)piperazine hydrochloride Formula: C27H30Cl2N2O MolecularWeight: 469.4459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN2O.ClH/c1-2-27(30-17-15-29(16-18-30)23-12-8-11-22(28)19-23)26-14-7-6-13-24(26)25(20-31-27)21-9-4-3-5-10-21;/h3-14,19,25H,2,15-18,20H2,1H3;1H