lithium [3-fluoranyl-4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]-phenylmethoxycarbonyl-azanide

Systemtic Name: lithium [3-fluoranyl-4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]-phenylmethoxycarbonyl-azanide Openeye Name: lithium benzyloxycarbonyl-[4-(4-benzyloxycarbonylpiperazin-1-yl)-3-fluoro-phenyl]azanide CAS Name: lithium [3-fluoro-4-(4-phenylmethoxycarbonyl-1-piperazinyl)phenyl]-phenylmethoxycarbonylazanide IUPAC Name: lithium [3-fluoro-4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]-phenylmethoxycarbonylazanide Traditional Name: lithium carbobenzoxy-[4-(4-carbobenzoxypiperazino)-3-fluoro-phenyl]azanide Formula: C26H25FLiN3O4 MolecularWeight: 469.433803

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1CN(CCN1C2=C(C=C(C=C2)[N-]C(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

[Li+].C1CN(CCN1C2=C(C=C(C=C2)[N-]C(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26FN3O4.Li/c27-23-17-22(28-25(31)33-18-20-7-3-1-4-8-20)11-12-24(23)29-13-15-30(16-14-29)26(32)34-19-21-9-5-2-6-10-21;/h1-12,17H,13-16,18-19H2,(H,28,31);/q;+1/p-1