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

Systemtic Name: [3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-phenyl]-phenyl-methanone Openeye Name: [3-(2-isochroman-1-ylethyl)-2-piperazin-1-yl-phenyl]-phenyl-methanone CAS Name: [3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(1-piperazinyl)phenyl]-phenylmethanone IUPAC Name: [3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-ylphenyl]-phenylmethanone Traditional Name: [3-(2-isochroman-1-ylethyl)-2-piperazino-phenyl]-phenyl-methanone Formula: C28H30N2O2 MolecularWeight: 426.55

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O2/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