NY3
Summary
| Name: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate |
| Formula: | C27 H30 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 474.552 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H30N4O4/c1-4-31(5-2)21-9-10-22-18(3)23(26(32)35-25(22)14-21)11-12-34-27(33)29-15-19-7-6-8-20(13-19)24-16-28-17-30-24/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,28,30)(H,29,33) |
| InChIKey | InChI | 1.03 | WFSFODPKYFDLDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C |
| SMILES | CACTVS | 3.385 | CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4 |
