Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC |
InChI | InChI | 1.06 | InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3 |
InChIKey | InChI | 1.06 | MGTHESHOEDYGFD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCC1(CC1)CN(C)C(=O)c2ccc(CCn3cc(nn3)c4ccc(nc4)c5cc(OC)ccc5OC)cc2 |
SMILES | CACTVS | 3.385 | COCC1(CC1)CN(C)C(=O)c2ccc(CCn3cc(nn3)c4ccc(nc4)c5cc(OC)ccc5OC)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC1(CC1)COC)C(=O)c2ccc(cc2)CCn3cc(nn3)c4ccc(nc4)c5cc(ccc5OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC1(CC1)COC)C(=O)c2ccc(cc2)CCn3cc(nn3)c4ccc(nc4)c5cc(ccc5OC)OC |