L9F
(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
Created: | 2023-08-15 |
Last modified: | 2023-11-08 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 1 |
Bond Count | 32 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione |
Systematic Name (OpenEye OEToolkits) | (5~{R})-3-(3-chlorophenyl)-5-pyridin-3-yl-imidazolidine-2,4-dione |
Formula | C14 H10 Cl N3 O2 |
Molecular Weight | 287.701 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1 |
SMILES | CACTVS | 3.385 | Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3 |
Canonical SMILES | CACTVS | 3.385 | Clc1cccc(c1)N2C(=O)N[C@H](c3cccnc3)C2=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)N2C(=O)[C@H](NC2=O)c3cccnc3 |
InChI | InChI | 1.06 | InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | GSEMEGPVJJVGNC-GFCCVEGCSA-N |