Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12 |
SMILES | CACTVS | 3.341 | CN(C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24) |
InChIKey | InChI | 1.03 | VNWAULKXOPRJEL-UHFFFAOYSA-N |