PDB CCD ID: | EP5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C23 H26 N5 O2 |
InChI: | InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2/p+1 |
InChIKey: | SOHCKWZVTCTQBG-UHFFFAOYSA-O |
SMILES: | Software | SMILES |
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CACTVS 3.385 | [NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c4ccc(cc4)C#N)cc12 | OpenEye OEToolkits 2.0.6 | c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+] |
|
Name: | 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium |