Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C27H37N5/c1-29-11-3-13-31(17-15-29)21-23-5-8-25(9-6-23)27-10-7-24(19-26(27)20-28)22-32-14-4-12-30(2)16-18-32/h5-10,19H,3-4,11-18,21-22H2,1-2H3 |
InChIKey | InChI | 1.03 | MJTWJYMXCDQAOT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(CN4CCCN(C)CC4)cc3C#N |
SMILES | CACTVS | 3.385 | CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(CN4CCCN(C)CC4)cc3C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C |