Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | VSQILWJHLPJYGP-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O |
SMILES | CACTVS | 3.385 | N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3ccc(cc3)Cl |