2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-furoyl)piperazino]ethanone; oxalic acid Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O3.C2H2O4/c24-19(15-21-8-7-16-4-1-2-5-17(16)14-21)22-9-11-23(12-10-22)20(25)18-6-3-13-26-18;3-1(4)2(5)6/h1-6,13H,7-12,14-15H2;(H,3,4)(H,5,6)