Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1CCN(C(C)C)CC1)c3cc2ccccc2n3Cc4cccc(OC)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(Cn2c(cc3ccccc23)C(=O)NC4CCN(CC4)C(C)C)c1 |
SMILES | CACTVS | 3.341 | COc1cccc(Cn2c(cc3ccccc23)C(=O)NC4CCN(CC4)C(C)C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC |
InChI | InChI | 1.03 | InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29) |
InChIKey | InChI | 1.03 | GIPCBGDQVGKMPO-UHFFFAOYSA-N |