A1AIB
Summary
| Name: | (2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide |
| Formula: | C21 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 347.41 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(NC(=O)C(c2ccccc2)N2CCCc3ccccc32)no1 |
| InChI | InChI | 1.06 | InChI=1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | KSEXDSJYVSEVGF-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(NC(=O)[C@@H](N2CCCc3ccccc23)c4ccccc4)c1 |
| SMILES | CACTVS | 3.385 | Cc1onc(NC(=O)[CH](N2CCCc3ccccc23)c4ccccc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)NC(=O)[C@H](c2ccccc2)N3CCCc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)NC(=O)C(c2ccccc2)N3CCCc4c3cccc4 |
