AEX
Summary
| Name: | N-butyl-9H-beta-carbolin-3-amine |
| Formula: | C15 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 239.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-butyl-9H-beta-carbolin-3-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-butyl-9~{H}-pyrido[3,4-b]indol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c3c(cc(n1)NCCCC)c2c(cccc2)n3 |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3/c1-2-3-8-16-15-9-12-11-6-4-5-7-13(11)18-14(12)10-17-15/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | CYCGZJGGMSQCSG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNc1cc2c([nH]c3ccccc23)cn1 |
| SMILES | CACTVS | 3.385 | CCCCNc1cc2c([nH]c3ccccc23)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCNc1cc2c3ccccc3[nH]c2cn1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCNc1cc2c3ccccc3[nH]c2cn1 |
