A1I9N
Summary
| Name: | 5-[4-[[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]amino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Formula: | C29 H29 Cl2 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 582.478 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[4-[[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]amino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H29Cl2N5O4/c30-23-6-3-18(15-24(23)31)9-14-34-27(38)8-7-26(37)33-11-1-2-12-35-28-21-10-13-32-17-22(21)20-5-4-19(29(39)40)16-25(20)36-28/h3-6,10,13,15-17H,1-2,7-9,11-12,14H2,(H,33,37)(H,34,38)(H,35,36)(H,39,40) |
| InChIKey | InChI | 1.06 | AWZFEGDGNPINFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCCCNC(=O)CCC(=O)NCCc3ccc(Cl)c(Cl)c3)c4ccncc24 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCCCNC(=O)CCC(=O)NCCc3ccc(Cl)c(Cl)c3)c4ccncc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCNc2c3ccncc3c4ccc(cc4n2)C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCNc2c3ccncc3c4ccc(cc4n2)C(=O)O)Cl)Cl |
