| PDB CCD ID: | A1ABN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H25 N3 O |
| InChI: | InChI=1S/C18H25N3O/c19-18(22)15-11-21-9-8-20(10-13-6-7-13)12-16(21)17(15)14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H2,19,22)/t15-,16-,17+/m1/s1 |
| InChIKey: | WOFJHRFOLYRTIS-ZACQAIPSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC(=O)[C@@H]1CN2CCN(CC3CC3)C[C@@H]2[C@H]1c4ccccc4 | | ACDLabs 12.01 | NC(=O)C1CN2CCN(CC2C1c1ccccc1)CC1CC1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@H]2[C@@H](CN3[C@@H]2CN(CC3)CC4CC4)C(=O)N | | CACTVS 3.385 | NC(=O)[CH]1CN2CCN(CC3CC3)C[CH]2[CH]1c4ccccc4 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2C(CN3C2CN(CC3)CC4CC4)C(=O)N |
|
| Name: | (5R,7S,8R,8aS)-2-(cyclopropylmethyl)-8-phenyloctahydropyrrolo[1,2-a]pyrazine-7-carboxamide |
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