1-[3-(3,4-dichlorophenyl)-5-oxidanyl-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-5-oxidanyl-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[3-(3,4-dichlorophenyl)-5-hydroxy-1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C22H24Cl2N2O2 MolecularWeight: 419.34416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2=C(C1CN3CCCC3)C=CC=C2O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)N1C(CC2=C(C1CN3CCCC3)C=CC=C2O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O2/c1-14(27)26-20(15-7-8-18(23)19(24)11-15)12-17-16(5-4-6-22(17)28)21(26)13-25-9-2-3-10-25/h4-8,11,20-21,28H,2-3,9-10,12-13H2,1H3