Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23N5/c1-2-4-16(5-3-1)10-18-13-25-22-21(18)11-17(12-24-22)19-14-26-27(15-19)20-6-8-23-9-7-20/h1-5,11-15,20,23H,6-10H2,(H,24,25) |
InChIKey | InChI | 1.03 | UVTQCOUVBMODTI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3 |
SMILES | CACTVS | 3.385 | C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 |