A1B0G
Summary
| Name: | 5-{[2-(4-{[(3-chloro-4-cyclopropylphenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| Formula: | C29 H32 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 518.05 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-{[2-(4-{[(3-chloro-4-cyclopropylphenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-[2-[4-[(3-chloranyl-4-cyclopropyl-phenyl)methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1cc2nc(NCCOCCCCNCc3ccc(C4CC4)c(Cl)c3)c3ccncc3c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C29H32ClN5O2/c30-26-15-19(3-7-22(26)20-4-5-20)17-32-10-1-2-13-37-14-12-34-29-24-9-11-33-18-25(24)23-8-6-21(28(31)36)16-27(23)35-29/h3,6-9,11,15-16,18,20,32H,1-2,4-5,10,12-14,17H2,(H2,31,36)(H,34,35) |
| InChIKey | InChI | 1.06 | VPCMAPSJWQZILZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(C4CC4)c(Cl)c3)c5ccncc25 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(C4CC4)c(Cl)c3)c5ccncc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CNCCCCOCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N)Cl)C5CC5 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CNCCCCOCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N)Cl)C5CC5 |
