Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CN(CCC1c2nccc(c2)CN(C)C(c4cc(Oc3ccccc3)ccc4)=O)CCNC |
InChI | InChI | 1.03 | InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3 |
InChIKey | InChI | 1.03 | VUIITYLFSAXKIQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCCN1CCC(CC1)c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2 |
SMILES | CACTVS | 3.385 | CNCCN1CCC(CC1)c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4 |