Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2c1ccccc1CCC2)N4CCC(c3cncn3)CC4 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(N1CCC(CC1)c2[nH]cnc2)N3CCCc4ccccc34 |
SMILES | CACTVS | 3.370 | O=C(N1CCC(CC1)c2[nH]cnc2)N3CCCc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4 |
InChI | InChI | 1.03 | InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20) |
InChIKey | InChI | 1.03 | UTSIHHDNMUZNMG-UHFFFAOYSA-N |