L9E
Summary
| Name: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide |
| Synonyms: | (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide |
| Formula: | C21 H25 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 384.447 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-azanylpropyl)-3-[[(3~{S})-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-~{N}-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H25FN4O2/c1-25(12-5-11-23)20(27)15-6-4-7-16(14-15)24-18-10-13-26(21(18)28)19-9-3-2-8-17(19)22/h2-4,6-9,14,18,24H,5,10-13,23H2,1H3/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | FKBZAUSZYONVAZ-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCCN)C(=O)c1cccc(N[C@H]2CCN(C2=O)c3ccccc3F)c1 |
| SMILES | CACTVS | 3.385 | CN(CCCN)C(=O)c1cccc(N[CH]2CCN(C2=O)c3ccccc3F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCCN)C(=O)c1cccc(c1)N[C@H]2CCN(C2=O)c3ccccc3F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCCN)C(=O)c1cccc(c1)NC2CCN(C2=O)c3ccccc3F |
