Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21 |
InChI | InChI | 1.06 | InChI=1S/C17H17FN4O3/c18-12-9-10(4-5-11(12)16(24)25)3-1-2-7-22-8-6-13-14(22)15(23)21-17(19)20-13/h4-6,8-9H,1-3,7H2,(H,24,25)(H3,19,20,21,23) |
InChIKey | InChI | 1.06 | MKEZEFIAXUENAX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2ccn(CCCCc3ccc(C(O)=O)c(F)c3)c2C(=O)N1 |
SMILES | CACTVS | 3.385 | NC1=Nc2ccn(CCCCc3ccc(C(O)=O)c(F)c3)c2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)O |