Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3 |
InChIKey | InChI | 1.06 | ATORKVYCKKBNTF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5 |
SMILES | CACTVS | 3.385 | COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC |