JLO
Summary
| Name: | (2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal |
| Formula: | C18 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 267.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal |
| OpenEye OEToolkits | 2.0.6 | (2~{E},4~{E})-5-(1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8-trien-7-yl)-3-methyl-penta-2,4-dienal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c13cc(cc2c1N(CCC2)CCC3)[C@H]=C/C(C)=C/C=O |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO/c1-14(8-11-20)6-7-15-12-16-4-2-9-19-10-3-5-17(13-15)18(16)19/h6-8,11-13H,2-5,9-10H2,1H3/b7-6+,14-8+ |
| InChIKey | InChI | 1.03 | LJFLJZQWTCHPOI-MDVYSFJGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C/C=O)\C=C\c1cc2CCCN3CCCc(c1)c23 |
| SMILES | CACTVS | 3.385 | CC(=CC=O)C=Cc1cc2CCCN3CCCc(c1)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CC=O)C=Cc1cc2c3c(c1)CCCN3CCC2 |
