A1D84
Summary
| Name: | 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide |
| Formula: | C24 H27 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 417.503 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-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/C24H27N5O2/c1-13-3-4-20(30)14(2)22(13)18-9-16(10-19(23(18)26)24(27)31)15-5-7-28-21(11-15)29-8-6-17(25)12-29/h3-5,7,9-11,17,30H,6,8,12,25-26H2,1-2H3,(H2,27,31)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | OVPMEUICXCKOJF-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CC[C@@H](N)C4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CC[CH](N)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CC[C@H](C4)N)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CCC(C4)N)C)O |
