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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

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