Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)C(C)(C)c2ccc3nc(Cc4ccccc4)[NH]c3c12 |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O2/c1-19(2)12-8-9-13-16(15(12)17(23)22-18(19)24)21-14(20-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23,24) |
InChIKey | InChI | 1.03 | UGKFKEYUQJUJCE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C(=O)NC(=O)c2c3[nH]c(Cc4ccccc4)nc3ccc12 |
SMILES | CACTVS | 3.385 | CC1(C)C(=O)NC(=O)c2c3[nH]c(Cc4ccccc4)nc3ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2ccc3c(c2C(=O)NC1=O)[nH]c(n3)Cc4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2ccc3c(c2C(=O)NC1=O)[nH]c(n3)Cc4ccccc4)C |