09Q
Summary
| Name: | 1-(5-phenylpyridin-3-yl)-1,4-diazepane |
| Formula: | C16 H19 N3 |
| Formal charge: | 0 |
| Formula weight: | 253.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-phenylpyridin-3-yl)-1,4-diazepane |
| OpenEye OEToolkits | 1.7.2 | 1-(5-phenylpyridin-3-yl)-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc(cc(c1ccccc1)c2)N3CCCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2 |
| InChIKey | InChI | 1.03 | YAWZOEAWIFAGIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C1CNCCN(C1)c2cncc(c2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | C1CNCCN(C1)c2cncc(c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)c2cc(cnc2)N3CCCNCC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)c2cc(cnc2)N3CCCNCC3 |
