Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(Cl)cccc1N2CCN(CC2)CCCNC(=O)C3CCN(CC3)c4ccc5n(n4)c(C)nn5 |
InChI | InChI | 1.03 | InChI=1S/C25H33ClN8O/c1-19-28-29-23-6-7-24(30-34(19)23)33-12-8-20(9-13-33)25(35)27-10-3-11-31-14-16-32(17-15-31)22-5-2-4-21(26)18-22/h2,4-7,18,20H,3,8-17H2,1H3,(H,27,35) |
InChIKey | InChI | 1.03 | JKOZTTFNOFUTMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2ccc(nn12)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(Cl)c5 |
SMILES | CACTVS | 3.385 | Cc1nnc2ccc(nn12)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(Cl)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl |