Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ccc(cc1)C1=NN=C(C)Cc2cc3OCOc3cc21 |
InChI | InChI | 1.06 | InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3 |
InChIKey | InChI | 1.06 | LFBZZHVSGAHQPP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=NN=C(c2ccc(N)cc2)c3cc4OCOc4cc3C1 |
SMILES | CACTVS | 3.385 | CC1=NN=C(c2ccc(N)cc2)c3cc4OCOc4cc3C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NN=C(c2cc3c(cc2C1)OCO3)c4ccc(cc4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NN=C(c2cc3c(cc2C1)OCO3)c4ccc(cc4)N |