IYF
Summary
| Name: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine |
| Formula: | C20 H22 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 383.875 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1~{H}-indol-3-yl)methylideneamino]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22ClN5O/c1-2-14-9-17(27)10-18-15(11-24-19(14)18)12-25-26-20(22)23-8-7-13-3-5-16(21)6-4-13/h3-6,9-12,24,27H,2,7-8H2,1H3,(H3,22,23,26)/b25-12+ |
| InChIKey | InChI | 1.06 | NQWXHRRWWPCDAJ-BRJLIKDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(O)cc2c(c[nH]c12)/C=N/NC(=N)NCCc3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | CCc1cc(O)cc2c(c[nH]c12)C=NNC(=N)NCCc3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\NCCc1ccc(cc1)Cl)/NN=Cc2c[nH]c3c2cc(cc3CC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc2c1[nH]cc2C=NNC(=N)NCCc3ccc(cc3)Cl)O |
