1-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(3,4-dichlorophenyl)piperazine

Systemtic Name: 1-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(3,4-dichlorophenyl)piperazine Openeye Name: 1-[2-(6-bromoisochroman-1-yl)ethyl]-4-(3,4-dichlorophenyl)piperazine CAS Name: 1-[2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(3,4-dichlorophenyl)piperazine IUPAC Name: 1-[2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(3,4-dichlorophenyl)piperazine Traditional Name: 1-[2-(6-bromoisochroman-1-yl)ethyl]-4-(3,4-dichlorophenyl)piperazine Formula: C21H23BrCl2N2O MolecularWeight: 470.23012

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)Br)CCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)Br)CCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H23BrCl2N2O/c22-16-1-3-18-15(13-16)6-12-27-21(18)5-7-25-8-10-26(11-9-25)17-2-4-19(23)20(24)14-17/h1-4,13-14,21H,5-12H2