QJX
Summary
| Name: | (3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine |
| Formula: | C20 H25 N7 |
| Formal charge: | 0 |
| Formula weight: | 363.459 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-diethyl-4-pyridin-4-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-6,7,8,9-tetrahydro-5~{H}-cyclohepta[b]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCN(CC)c1nc2CCCCCc2c(c1c1nnn[NH]1)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H25N7/c1-3-27(4-2)20-18(19-23-25-26-24-19)17(14-10-12-21-13-11-14)15-8-6-5-7-9-16(15)22-20/h10-13H,3-9H2,1-2H3,(H,23,24,25,26) |
| InChIKey | InChI | 1.06 | GYLAVAYJAASQOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1nc2CCCCCc2c(c3ccncc3)c1c4[nH]nnn4 |
| SMILES | CACTVS | 3.385 | CCN(CC)c1nc2CCCCCc2c(c3ccncc3)c1c4[nH]nnn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1c(c(c2c(n1)CCCCC2)c3ccncc3)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1c(c(c2c(n1)CCCCC2)c3ccncc3)c4[nH]nnn4 |
