415
Summary
| Name: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea |
| Formula: | C18 H22 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 347.839 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea |
| OpenEye OEToolkits | 1.7.2 | 1-[3-[(3-chloranyl-5-methoxy-phenyl)methylamino]propyl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(OC)c1)CNCCCNC(=O)Nc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClN3O2/c1-24-17-11-14(10-15(19)12-17)13-20-8-5-9-21-18(23)22-16-6-3-2-4-7-16/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H2,21,22,23) |
| InChIKey | InChI | 1.03 | UCQXABGZXQUVHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 |
| SMILES | CACTVS | 3.370 | COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2 |
