Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4 |
InChI | InChI | 1.03 | InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25) |
InChIKey | InChI | 1.03 | KRAFQDJIYXJLQM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14 |
SMILES | CACTVS | 3.385 | CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4 |