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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-yl-benzamide dihydrochloride Openeye Name: 3-(2-isochroman-1-ylethyl)-2-piperazin-1-yl-benzamide dihydrochloride CAS Name: 3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(1-piperazinyl)benzamide dihydrochloride IUPAC Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-piperazin-1-ylbenzamide dihydrochloride Traditional Name: 3-(2-isochroman-1-ylethyl)-2-piperazino-benzamide dihydrochloride Formula: C22H29Cl2N3O2 MolecularWeight: 438.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2.2ClH/c23-22(26)19-7-3-5-17(21(19)25-13-11-24-12-14-25)8-9-20-18-6-2-1-4-16(18)10-15-27-20;;/h1-7,20,24H,8-15H2,(H2,23,26);2*1H