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

Systemtic Name: 2-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2-isochroman-1-ylethyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(2-isochroman-1-ylethyl)piperazino]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=CC=C4C#N

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H25N3O/c23-17-19-6-2-4-8-21(19)25-14-12-24(13-15-25)11-9-22-20-7-3-1-5-18(20)10-16-26-22/h1-8,22H,9-16H2