Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C27H29N5O/c1-30(2)11-10-26(33)20-6-9-25-23(16-20)24-17-21(18-28-27(24)29-25)19-4-7-22(8-5-19)32-14-12-31(3)13-15-32/h4-11,16-18H,12-15H2,1-3H3,(H,28,29)/b11-10- |
InChIKey | InChI | 1.06 | JFOIWAWELQEHHK-KHPPLWFESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)\C=C/C(=O)c1ccc2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5 |
SMILES | CACTVS | 3.385 | CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c4nc3)C(=O)C=CN(C)C |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c4nc3)C(=O)C=CN(C)C |