N-(3,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanamide; ethanedioic acid

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanamide; ethanedioic acid Openeye Name: N-(3,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: N-(3,5-dimethylphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide; oxalic acid Traditional Name: N-(3,5-dimethylphenyl)-2-[4-(2-furoyl)piperazino]acetamide; oxalic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O3.C2H2O4/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17;3-1(4)2(5)6/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,23);(H,3,4)(H,5,6)