Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1cc2c(cc1)c4c(n2)C(c3cc(c(cc3C4=O)CC)N6CCC(N5CCOCC5)CC6)(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6 |
SMILES | CACTVS | 3.370 | CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C |
InChI | InChI | 1.03 | InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 |
InChIKey | InChI | 1.03 | KDGFLJKFZUIJMX-UHFFFAOYSA-N |