Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]c4c(OC1CCCC1)cccc4c3cc2cc(ccc2n3)\C(=[NH2+])N |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cccc(OC4CCCC4)c3[O-] |
SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cccc(OC4CCCC4)c3[O-] |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22) |
InChIKey | InChI | 1.03 | CFSQPEBVGUSQII-UHFFFAOYSA-N |