Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]c4c(c1ccccc1)cccc4c3cc2cc(ccc2n3)\C(=[NH2+])N |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cccc(c3[O-])c4ccccc4 |
SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cccc(c3[O-])c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N |
InChI | InChI | 1.03 | InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) |
InChIKey | InChI | 1.03 | GAVRMVQHHVMXFD-UHFFFAOYSA-N |