Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccccc1)c2ccccc2NC(CNC(=O)C)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)Nc4ccccc4C(=O)c5ccccc5 |
SMILES | CACTVS | 3.341 | CC(=O)NC[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)Nc4ccccc4C(=O)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C36H35N3O4/c1-25-33(39-36(43-25)29-13-7-4-8-14-29)21-22-42-31-19-17-27(18-20-31)23-30(24-37-26(2)40)38-34-16-10-9-15-32(34)35(41)28-11-5-3-6-12-28/h3-20,30,38H,21-24H2,1-2H3,(H,37,40)/t30-/m0/s1 |
InChIKey | InChI | 1.03 | WCJXONGEWJNZQV-PMERELPUSA-N |