Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1 |
InChI | InChI | 1.06 | InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3 |
InChIKey | InChI | 1.06 | ZAFYATHCZYHLPB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3 |
SMILES | CACTVS | 3.385 | CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C |