Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C(N)Cc1ncnc1)Cc3ccc(OCc2ccccc2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c21-19(11-17-12-22-14-23-17)20(24)10-15-6-8-18(9-7-15)25-13-16-4-2-1-3-5-16/h1-9,12,14,19H,10-11,13,21H2,(H,22,23)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | JPAWSYOZOLVNBT-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1c[nH]cn1)C(=O)Cc2ccc(OCc3ccccc3)cc2 |
SMILES | CACTVS | 3.370 | N[CH](Cc1c[nH]cn1)C(=O)Cc2ccc(OCc3ccccc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COc2ccc(cc2)CC(=O)C(Cc3c[nH]cn3)N |