5EH
Summary
| Name: | (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
| Formula: | C19 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 279.376 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
| OpenEye OEToolkits | 1.7.2 | (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O3c1ccccc1/C(c2c(cccc2)C3)=C/CCN(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CC\C=C1/c2ccccc2COc3ccccc13 |
| SMILES | CACTVS | 3.370 | CN(C)CCC=C1c2ccccc2COc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CN(C)CCC=C1c2ccccc2COc3c1cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ |
| InChIKey | InChI | 1.03 | ODQWQRRAPPTVAG-GZTJUZNOSA-N |
