Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H22ClN5O3/c1-23(2)20-6-15(24)4-5-19(20)22(31)29(23)16-7-17(10-25-9-16)32-18-12-28(13-18)21(30)14-8-26-27(3)11-14/h4-11,18H,12-13H2,1-3H3 |
InChIKey | InChI | 1.03 | UBYILWVEJSMRTQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)C(=O)N2CC(C2)Oc3cncc(c3)N4C(=O)c5ccc(Cl)cc5C4(C)C |
SMILES | CACTVS | 3.385 | Cn1cc(cn1)C(=O)N2CC(C2)Oc3cncc(c3)N4C(=O)c5ccc(Cl)cc5C4(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C |