Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n3nc2cc(c1ccc(N)cc1)ccc2c3c6nc5c(c(N4CCN(C)CC4)ccc5)n6 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)c2cccc3nc([nH]c23)c4n[nH]c5cc(ccc45)c6ccc(N)cc6 |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)c2cccc3nc([nH]c23)c4n[nH]c5cc(ccc45)c6ccc(N)cc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N |
InChI | InChI | 1.03 | InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30) |
InChIKey | InChI | 1.03 | LPSCCOBGZSKECZ-UHFFFAOYSA-N |