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

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(3-chloro-4-hydroxyphenyl)-1-[1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

C1CCN(C1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C22H25ClN2O2/c23-19-13-16(7-8-21(19)26)14-22(27)25-12-9-17-5-1-2-6-18(17)20(25)15-24-10-3-4-11-24/h1-2,5-8,13,20,26H,3-4,9-12,14-15H2