ZNC
Summary
| Name: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine |
| Formula: | C21 H23 N3 |
| Formal charge: | 0 |
| Formula weight: | 317.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine |
| OpenEye OEToolkits | 2.0.7 | 3-[1-(3-phenylpropyl)-3,6-dihydro-2~{H}-pyridin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C21H23N3/c1-2-6-17(7-3-1)8-5-13-24-14-10-18(11-15-24)20-16-23-21-19(20)9-4-12-22-21/h1-4,6-7,9-10,12,16H,5,8,11,13-15H2,(H,22,23) |
| InChIKey | InChI | 1.03 | IWLWNPOFKPUZCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(CN1CCC(=CC1)c2c[nH]c3ncccc23)Cc4ccccc4 |
| SMILES | CACTVS | 3.385 | C(CN1CCC(=CC1)c2c[nH]c3ncccc23)Cc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4 |
