5R9
Summary
| Name: | 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline |
| Formula: | C16 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 255.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3 |
| InChIKey | InChI | 1.03 | DIQRHBUDTKMUNJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)Cc2ccc3ncccc3c2 |
| SMILES | CACTVS | 3.385 | CN1CCCN(CC1)Cc2ccc3ncccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCCN(CC1)Cc2ccc3c(c2)cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCCN(CC1)Cc2ccc3c(c2)cccn3 |
