2O3
Summary
| Name: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
| Formula: | C22 H26 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 378.467 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
| OpenEye OEToolkits | 1.7.6 | (3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1H-quinoxaline-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3ccccc3CCC4 |
| InChI | InChI | 1.03 | InChI=1S/C22H26N4O2/c1-15-21(27)25-18-10-4-9-17(20(18)24-15)22(28)23-12-6-14-26-13-5-8-16-7-2-3-11-19(16)26/h2-4,7,9-11,15,24H,5-6,8,12-14H2,1H3,(H,23,28)(H,25,27)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | XBNNWBHEMSYHTJ-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Nc2c(NC1=O)cccc2C(=O)NCCCN3CCCc4ccccc34 |
| SMILES | CACTVS | 3.385 | C[CH]1Nc2c(NC1=O)cccc2C(=O)NCCCN3CCCc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4 |
