CQT
Summary
| Name: | ~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide |
| Formula: | C14 H19 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 317.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20) |
| InChIKey | InChI | 1.03 | DTCDEBDILWHQER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3 |
| SMILES | CACTVS | 3.385 | O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3 |
