Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(cn1)c1nc2ccccc2c(c1)C1(NC(=O)c2cc(ccc2C)N2CCN(C)CC2)CC1 |
InChI | InChI | 1.06 | InChI=1S/C29H32N6O/c1-20-8-9-22(35-14-12-33(2)13-15-35)16-24(20)28(36)32-29(10-11-29)25-17-27(21-18-30-34(3)19-21)31-26-7-5-4-6-23(25)26/h4-9,16-19H,10-15H2,1-3H3,(H,32,36) |
InChIKey | InChI | 1.06 | MMVYUHFDLZLNDJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4cc(nc5ccccc45)c6cnn(C)c6 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4cc(nc5ccccc45)c6cnn(C)c6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC2(CC2)c3cc(nc4c3cccc4)c5cnn(c5)C)N6CCN(CC6)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC2(CC2)c3cc(nc4c3cccc4)c5cnn(c5)C)N6CCN(CC6)C |