Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 |
InChIKey | InChI | 1.03 | NFHRQQKPEBFUJK-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)[C@@H](NC(=O)c2[nH]c3ccccc3c2)N=C(c4ccccc4)c5ccccc15 |
SMILES | CACTVS | 3.385 | CN1C(=O)[CH](NC(=O)c2[nH]c3ccccc3c2)N=C(c4ccccc4)c5ccccc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2C(=NC(C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5 |