Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c5cc2c(nc(nc2NC1CCN(C(C)C)CC1)C3CCCCC3)cc5OCCCN4CCCC4)C |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5 |
SMILES | CACTVS | 3.370 | COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC |
InChI | InChI | 1.03 | InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) |
InChIKey | InChI | 1.03 | QOECJCJVIMVJGX-UHFFFAOYSA-N |