A1IUW
Summary
| Name: | 3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide |
| Formula: | C18 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 296.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-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/C18H20N2O2/c1-10-9-12(18(19)22)7-8-13(10)17-14-5-3-4-6-15(21)16(14)11(2)20-17/h7-9,20H,3-6H2,1-2H3,(H2,19,22) |
| InChIKey | InChI | 1.06 | ATVBLDDCYXMXQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3ccc(cc3C)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3ccc(cc3C)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2c3c(c([nH]2)C)C(=O)CCCC3)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2c3c(c([nH]2)C)C(=O)CCCC3)C(=O)N |
