Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c2ccccn2)C(C)C |
SMILES | CACTVS | 3.370 | CC(C)N(CC[C](C(N)=O)(c1ccccc1)c2ccccn2)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)N(CCC(c1ccccc1)(c2ccccn2)C(=O)N)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/t21-/m0/s1 |
InChIKey | InChI | 1.03 | UVTNFZQICZKOEM-NRFANRHFSA-N |