A1IUZ
Summary
| Name: | 3-methyl-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
| Formula: | C17 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 253.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19NO/c1-11-7-3-4-8-13(11)17-14-9-5-6-10-15(19)16(14)12(2)18-17/h3-4,7-8,18H,5-6,9-10H2,1-2H3 |
| InChIKey | InChI | 1.06 | IZDRTTVDHAXLMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2c3c(c([nH]2)C)C(=O)CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2c3c(c([nH]2)C)C(=O)CCCC3 |
