Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H17N5O3/c1-11-8-17(23)19-16(18-11)4-5-22-10-13(20-21-22)12-2-3-14-15(9-12)25-7-6-24-14/h2-3,8-10H,4-7H2,1H3,(H,18,19,23) |
InChIKey | InChI | 1.03 | HUPUXSMUAITIDA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)N=C(CCn2cc(nn2)c3ccc4OCCOc4c3)N1 |
SMILES | CACTVS | 3.385 | CC1=CC(=O)N=C(CCn2cc(nn2)c3ccc4OCCOc4c3)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4 |