Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc2c(cc1O)NCC2(C)C)N4Cc3ccccc3C4 |
SMILES_CANONICAL | CACTVS | 3.352 | CC1(C)CNc2cc(O)c(cc12)C(=O)N3Cc4ccccc4C3 |
SMILES | CACTVS | 3.352 | CC1(C)CNc2cc(O)c(cc12)C(=O)N3Cc4ccccc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O2/c1-19(2)11-20-16-8-17(22)14(7-15(16)19)18(23)21-9-12-5-3-4-6-13(12)10-21/h3-8,20,22H,9-11H2,1-2H3 |
InChIKey | InChI | 1.03 | ATFBTSVSJAEVMV-UHFFFAOYSA-N |