Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c(c1ccc(N(C)C)cc1C)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C)CC6 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6C)N(C)C |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6C)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C28H31N7/c1-18-15-20(33(2)3)6-8-22(18)28-30-23-9-5-19(16-25(23)32-28)27-29-24-10-7-21(17-26(24)31-27)35-13-11-34(4)12-14-35/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)(H,30,32) |
InChIKey | InChI | 1.03 | ADKLMOJIJGHCCD-UHFFFAOYSA-N |