Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15-20-34)27(37)35(29(38)36(30)28-32-17-6-18-33-28)25-12-10-24(11-13-25)23-8-3-2-4-9-23/h2-13,16-18H,14-15,19-21H2,1H3 |
InChIKey | InChI | 1.03 | FIMHRJKSKVXMEB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6 |
SMILES | CACTVS | 3.385 | Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6 |