Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCCC1)CNC(=O)Nc3cc2ccncc2cc3 |
InChI | InChI | 1.03 | InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22) |
InChIKey | InChI | 1.03 | DMIDPTCQPIJYFE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC(=O)N1CCCC1)Nc2ccc3cnccc3c2 |
SMILES | CACTVS | 3.385 | O=C(NCC(=O)N1CCCC1)Nc2ccc3cnccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3 |