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

Systemtic Name: 2-(3-nitrophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-(3-nitrophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(3-nitrophenyl)-1-[1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-(3-nitrophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(3-nitrophenyl)-1-[1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-22(15-17-6-5-8-19(14-17)25(27)28)24-13-10-18-7-1-2-9-20(18)21(24)16-23-11-3-4-12-23/h1-2,5-9,14,21H,3-4,10-13,15-16H2