[3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-phenyl]-phenyl-methanone dihydrochloride

Systemtic Name: [3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-phenyl]-phenyl-methanone dihydrochloride Openeye Name: [3-(2-isochroman-1-ylethyl)-2-piperazin-1-yl-phenyl]-phenyl-methanone dihydrochloride CAS Name: [3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(1-piperazinyl)phenyl]-phenylmethanone dihydrochloride IUPAC Name: [3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-ylphenyl]-phenylmethanone dihydrochloride Traditional Name: [3-(2-isochroman-1-ylethyl)-2-piperazino-phenyl]-phenyl-methanone dihydrochloride Formula: C28H32Cl2N2O2 MolecularWeight: 499.47188

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCC3=CC=CC(=C3N4CCNCC4)C(=O)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCC3=CC=CC(=C3N4CCNCC4)C(=O)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H30N2O2.2ClH/c31-28(23-8-2-1-3-9-23)25-12-6-10-22(27(25)30-18-16-29-17-19-30)13-14-26-24-11-5-4-7-21(24)15-20-32-26;;/h1-12,26,29H,13-20H2;2*1H