| PDB CCD ID: | 8O8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H23 N3 O |
| InChI: | InChI=1S/C22H23N3O/c1-25(15-18-6-4-5-16-13-24-12-10-19(16)18)22(26)21-8-3-2-7-20(21)17-9-11-23-14-17/h2-8,10,12-13,17,23H,9,11,14-15H2,1H3/t17-/m0/s1 |
| InChIKey: | PLZFYNSGOVXYDD-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4 | | CACTVS 3.385 | CN(Cc1cccc2cnccc12)C(=O)c3ccccc3[CH]4CCNC4 | | OpenEye OEToolkits 2.0.6 | CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3C4CCNC4 | | CACTVS 3.385 | CN(Cc1cccc2cnccc12)C(=O)c3ccccc3[C@H]4CCNC4 |
|
| Name: | ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide |
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