Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1ON=C(N1)\C(=C2/c4c(COc3c2cccc3)cc(cc4)Cn5c(CCC)nc6c5cccc6C)C |
InChI | InChI | 1.03 | InChI=1S/C30H28N4O3/c1-4-8-26-31-28-18(2)9-7-11-24(28)34(26)16-20-13-14-22-21(15-20)17-36-25-12-6-5-10-23(25)27(22)19(3)29-32-30(35)37-33-29/h5-7,9-15H,4,8,16-17H2,1-3H3,(H,32,33,35)/b27-19+ |
InChIKey | InChI | 1.03 | KWALRLFFHWLMRU-ZXVVBBHZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCc1nc2c(C)cccc2n1Cc3ccc4c(COc5ccccc5/C4=C(C)/C6=NOC(=O)N6)c3 |
SMILES | CACTVS | 3.385 | CCCc1nc2c(C)cccc2n1Cc3ccc4c(COc5ccccc5C4=C(C)C6=NOC(=O)N6)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1nc2c(cccc2n1Cc3ccc4c(c3)COc5ccccc5C4=C(C)C6=NOC(=O)N6)C |