Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2ccccc2Oc1ccccc1)Nc6cccc(c4c3cc(cnc3nc4)c5ccc(cc5)CN)c6 |
SMILES_CANONICAL | CACTVS | 3.341 | NCc1ccc(cc1)c2cnc3[nH]cc(c4cccc(NC(=O)Nc5ccccc5Oc6ccccc6)c4)c3c2 |
SMILES | CACTVS | 3.341 | NCc1ccc(cc1)c2cnc3[nH]cc(c4cccc(NC(=O)Nc5ccccc5Oc6ccccc6)c4)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN |
InChI | InChI | 1.03 | InChI=1S/C33H27N5O2/c34-19-22-13-15-23(16-14-22)25-18-28-29(21-36-32(28)35-20-25)24-7-6-8-26(17-24)37-33(39)38-30-11-4-5-12-31(30)40-27-9-2-1-3-10-27/h1-18,20-21H,19,34H2,(H,35,36)(H2,37,38,39) |
InChIKey | InChI | 1.03 | KSTUYVHCHCYOAB-UHFFFAOYSA-N |