ethanedioic acid; 1-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-yl-ethanone

Systemtic Name: ethanedioic acid; 1-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-yl-ethanone Openeye Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-yl-ethanone; oxalic acid CAS Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(1-pyrrolidinyl)ethanone; oxalic acid IUPAC Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ylethanone; oxalic acid Traditional Name: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidino-ethanone; oxalic acid Formula: C24H26F2N2O5 MolecularWeight: 460.470446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24F2N2O.C2H2O4/c23-17-7-5-16(6-8-17)19-4-3-13-26(21-14-18(24)9-10-20(19)21)22(27)15-25-11-1-2-12-25;3-1(4)2(5)6/h5-10,14,19H,1-4,11-13,15H2;(H,3,4)(H,5,6)