Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1CCCCC1)c2ccc(cc2)c3ccc(cc3)CN(C(=O)c4ncc(cc4)CCCCC)C6CCN(Cc5ncccc5)CC6 |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 |
SMILES | CACTVS | 3.341 | CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6 |
InChI | InChI | 1.03 | InChI=1S/C41H49N5O2/c1-2-3-5-10-32-14-21-39(43-29-32)41(48)46(38-22-27-44(28-23-38)31-37-11-6-7-24-42-37)30-33-12-15-34(16-13-33)35-17-19-36(20-18-35)40(47)45-25-8-4-9-26-45/h6-7,11-21,24,29,38H,2-5,8-10,22-23,25-28,30-31H2,1H3 |
InChIKey | InChI | 1.03 | RBZSSVVTHOATHE-UHFFFAOYSA-N |