Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cccc(c1)C(C(=O)Nc2cc3c(cc2)nnc3NC(=O)c4ccccc4)CCN |
SMILES_CANONICAL | CACTVS | 3.341 | NCC[C@H](C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c4cccc(Cl)c4 |
SMILES | CACTVS | 3.341 | NCC[CH](C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c4cccc(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)C(CCN)c4cccc(c4)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | JDGOPNUGILVNJZ-IBGZPJMESA-N |