ethanedioic acid; 1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-(4-m-anisoylpiperazino)-2-phenyl-ethanone; oxalic acid Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O3.C2H2O4/c1-25-18-9-5-8-17(15-18)20(24)22-12-10-21(11-13-22)19(23)14-16-6-3-2-4-7-16;3-1(4)2(5)6/h2-9,15H,10-14H2,1H3;(H,3,4)(H,5,6)