1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(pyridin-4-ylmethylamino)ethanone; ethanedioic acid

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(pyridin-4-ylmethylamino)ethanone; ethanedioic acid Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridylmethylamino)ethanone; oxalic acid CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(pyridin-4-ylmethylamino)ethanone; oxalic acid IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(pyridin-4-ylmethylamino)ethanone; oxalic acid Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridylmethylamino)ethanone; oxalic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNCC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNCC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19N3O.C2H2O4/c21-17(12-19-11-14-5-8-18-9-6-14)20-10-7-15-3-1-2-4-16(15)13-20;3-1(4)2(5)6/h1-6,8-9,19H,7,10-13H2;(H,3,4)(H,5,6)