Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(c2c(cc(c1ccncc1)cc2)NCCN)=O)C(c3cc(OC)ccc3)C |
InChI | InChI | 1.03 | InChI=1S/C23H26N4O2/c1-16(18-4-3-5-20(14-18)29-2)27-23(28)21-7-6-19(15-22(21)26-13-10-24)17-8-11-25-12-9-17/h3-9,11-12,14-16,26H,10,13,24H2,1-2H3,(H,27,28)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | DVHXGAIYRHHWGU-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H](C)NC(=O)c2ccc(cc2NCCN)c3ccncc3 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH](C)NC(=O)c2ccc(cc2NCCN)c3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3 |