KJM
Summary
Name: | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide |
Formula: | C11 H13 Cl N2 |
Formal charge: | 0 |
Formula weight: | 208.687 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide |
OpenEye OEToolkits | 2.0.6 | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N\C(=N)C1(CCC1)c2cc(ccc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C11H13ClN2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H3,13,14) |
InChIKey | InChI | 1.03 | XNPVOSOTFKAKIZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)C1(CCC1)c2cccc(Cl)c2 |
SMILES | CACTVS | 3.385 | NC(=N)C1(CCC1)c2cccc(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)C2(CCC2)C(=N)N |