Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]c4c(c1ccccc1)cc(OC)cc4c3cc2cc(ccc2n3)\C(=[NH2+])N |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(c([O-])c(c1)c2ccccc2)c3[nH]c4ccc(cc4c3)C(N)=[NH2+] |
SMILES | CACTVS | 3.341 | COc1cc(c([O-])c(c1)c2ccccc2)c3[nH]c4ccc(cc4c3)C(N)=[NH2+] |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24) |
InChIKey | InChI | 1.03 | MINVOLKUPZPDNX-UHFFFAOYSA-N |