2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenyl-ethanamide; ethanedioic acid

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenyl-ethanamide; ethanedioic acid Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenyl-acetamide; oxalic acid CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-N-cyclopropyl-2-phenylacetamide; oxalic acid IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide; oxalic acid Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-N-cyclopropyl-2-phenyl-acetamide; oxalic acid Formula: C26H29ClFN3O9 MolecularWeight: 581.974563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=C(C=CC=C4Cl)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=C(C=CC=C4Cl)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25ClFN3O.2C2H2O4/c23-19-7-4-8-20(24)18(19)15-26-11-13-27(14-12-26)21(16-5-2-1-3-6-16)22(28)25-17-9-10-17;2*3-1(4)2(5)6/h1-8,17,21H,9-15H2,(H,25,28);2*(H,3,4)(H,5,6)