Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4c3c(c(C(=O)NC1C(N(c2c(OC1)cccc2)C)=O)nn3)CC(C4)C |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O3/c1-11-7-8-13-12(9-11)17(22-21-13)18(24)20-14-10-26-16-6-4-3-5-15(16)23(2)19(14)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,14+/m1/s1 |
InChIKey | InChI | 1.03 | LOTYATKNTZKNHI-RISCZKNCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCc2n[nH]c(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)c2C1 |
SMILES | CACTVS | 3.385 | C[CH]1CCc2n[nH]c(C(=O)N[CH]3COc4ccccc4N(C)C3=O)c2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCc2c(c([nH]n2)C(=O)NC3COc4ccccc4N(C3=O)C)C1 |