Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCCN1CCN=C1c1ccc(cc1)C(=O)Nc1ccc(cc1)C1=NCCN1 |
InChI | InChI | 1.06 | InChI=1S/C21H24N6O/c22-9-13-27-14-12-25-20(27)16-1-3-17(4-2-16)21(28)26-18-7-5-15(6-8-18)19-23-10-11-24-19/h1-8H,9-14,22H2,(H,23,24)(H,26,28) |
InChIKey | InChI | 1.06 | MIXOGBPRHWAMGZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4 |
SMILES | CACTVS | 3.385 | NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc(cc3)C4=NCCN4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc(cc3)C4=NCCN4 |