Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C33H28N4O2/c38-24-12-13-25-27(17-24)32(36-33(25)39)31-26-8-4-5-9-28(26)35-29(31)19-34-18-22-10-11-23-14-15-37(30(23)16-22)20-21-6-2-1-3-7-21/h1-17,32,34-35,38H,18-20H2,(H,36,39)/t32-/m0/s1 |
InChIKey | InChI | 1.03 | ODHMZVFKZVCZOB-YTTGMZPUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2C(=O)N[C@@H](c2c1)c3c(CNCc4ccc5ccn(Cc6ccccc6)c5c4)[nH]c7ccccc37 |
SMILES | CACTVS | 3.385 | Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCc4ccc5ccn(Cc6ccccc6)c5c4)[nH]c7ccccc37 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)C6c7cc(ccc7C(=O)N6)O |