A1IK1
Summary
| Name: | 1-[(4S)-8-chloranyl-3,4-dihydro-2H-chromen-4-yl]-3-(1-phenylpyrazol-3-yl)urea |
| Formula: | C19 H17 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 368.817 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(4~{S})-8-chloranyl-3,4-dihydro-2~{H}-chromen-4-yl]-3-(1-phenylpyrazol-3-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H17ClN4O2/c20-15-8-4-7-14-16(10-12-26-18(14)15)21-19(25)22-17-9-11-24(23-17)13-5-2-1-3-6-13/h1-9,11,16H,10,12H2,(H2,21,22,23,25)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | BSTIDGXIEVTIMB-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2[C@H](CCOc12)NC(=O)Nc3ccn(n3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Clc1cccc2[CH](CCOc12)NC(=O)Nc3ccn(n3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2ccc(n2)NC(=O)N[C@H]3CCOc4c3cccc4Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2ccc(n2)NC(=O)NC3CCOc4c3cccc4Cl |
