PDB CCD ID: | 5EH |
Number of entries in BioLiP: | 1 |
Chemical formula: | C19 H21 N O |
InChI: | 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: | ODQWQRRAPPTVAG-GZTJUZNOSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.2 | CN(C)CCC=C1c2ccccc2COc3c1cccc3 | CACTVS 3.370 | CN(C)CCC=C1c2ccccc2COc3ccccc13 | ACDLabs 12.01 | O3c1ccccc1/C(c2c(cccc2)C3)=C/CCN(C)C | CACTVS 3.370 | CN(C)CC\C=C1/c2ccccc2COc3ccccc13 | OpenEye OEToolkits 1.7.2 | CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 |
|
Name: | (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
ChEMBL: | CHEMBL860 |
ZINC: | ZINC000000001331 |