|
PDBeChem : Molecule Descriptors
Molecule : Q5Z
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3 |
2 |
InChIKey
|
InChI |
1.03 |
WGZBSMWSGOJXPI-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4 |
|