A1IUH
Summary
| Name: | 3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide |
| Formula: | C19 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 310.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H22N2O2/c1-10-8-13(19(20)23)9-11(2)16(10)18-14-6-4-5-7-15(22)17(14)12(3)21-18/h8-9,21H,4-7H2,1-3H3,(H2,20,23) |
| InChIKey | InChI | 1.06 | KAKQTYYUIRHUNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3c(C)cc(cc3C)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3c(C)cc(cc3C)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1c2c3c(c([nH]2)C)C(=O)CCCC3)C)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1c2c3c(c([nH]2)C)C(=O)CCCC3)C)C(=O)N |
