Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc4cc(OC1=C(C=CN(C1=O)Cc2c3cccnc3nn2)C)cc(Cl)c4 |
InChI | InChI | 1.03 | InChI=1S/C20H14ClN5O2/c1-12-4-6-26(11-17-16-3-2-5-23-19(16)25-24-17)20(27)18(12)28-15-8-13(10-22)7-14(21)9-15/h2-9H,11H2,1H3,(H,23,24,25) |
InChIKey | InChI | 1.03 | YMRUCOCNLHJFRC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1=C(Oc2cc(Cl)cc(c2)C#N)C(=O)N(Cc3[nH]nc4ncccc34)C=C1 |
SMILES | CACTVS | 3.370 | CC1=C(Oc2cc(Cl)cc(c2)C#N)C(=O)N(Cc3[nH]nc4ncccc34)C=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N |
SMILES | OpenEye OEToolkits | 1.7.2 | CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N |