Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C |
InChI | InChI | 1.03 | InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | CPCKLTIADHIWQT-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.385 | C[CH](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2 |