7U9
Summary
| Name: | 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide |
| Formula: | C13 H15 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 273.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-1~{H}-benzimidazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15N5O2/c14-7-4-5-18(6-7)13(20)12-16-9-3-1-2-8(11(15)19)10(9)17-12/h1-3,7H,4-6,14H2,(H2,15,19)(H,16,17)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | WHEDMAICUFWICE-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCN(C1)C(=O)c2[nH]c3cccc(C(N)=O)c3n2 |
| SMILES | CACTVS | 3.385 | N[CH]1CCN(C1)C(=O)c2[nH]c3cccc(C(N)=O)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCC(C3)N)C(=O)N |
