3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-(3,5-dimethylpiperazin-1-yl)benzamide

Systemtic Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-(3,5-dimethylpiperazin-1-yl)benzamide Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-3-(2-isochroman-1-ylethyl)benzamide CAS Name: 3-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-2-(3,5-dimethyl-1-piperazinyl)benzamide IUPAC Name: 3-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-2-(3,5-dimethylpiperazin-1-yl)benzamide Traditional Name: 2-(3,5-dimethylpiperazino)-3-(2-isochroman-1-ylethyl)benzamide Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=CC=C2CCC3C4=CC=CC=C4CCO3)C(=O)N

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=CC=C2CCC3C4=CC=CC=C4CCO3)C(=O)N

InChI

InChI=1S/C24H31N3O2/c1-16-14-27(15-17(2)26-16)23-19(7-5-9-21(23)24(25)28)10-11-22-20-8-4-3-6-18(20)12-13-29-22/h3-9,16-17,22,26H,10-15H2,1-2H3,(H2,25,28)