A1D85
Summary
| Name: | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide |
| Formula: | C25 H29 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 431.53 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H29N5O2/c1-15-4-5-21(31)16(2)23(15)19-12-18(13-20(24(19)26)25(27)32)17-6-8-29-22(14-17)30-10-3-7-28-9-11-30/h4-6,8,12-14,28,31H,3,7,9-11,26H2,1-2H3,(H2,27,32) |
| InChIKey | InChI | 1.06 | CKVRYWYZRXYQOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCCNCC4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CCCNCC4)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CCCNCC4)C)O |
