A1H7X
Summary
| Name: | 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one |
| Formula: | C25 H23 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 425.482 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H23N5O2/c1-16-5-6-17(12-27-19-4-3-9-26-13-19)10-20(16)24-25(30(2)15-28-24)18-7-8-21-22(11-18)32-14-23(31)29-21/h3-11,13,15,27H,12,14H2,1-2H3,(H,29,31) |
| InChIKey | InChI | 1.06 | APUAYMXUHLOPLQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(c2cc(CNc3cccnc3)ccc2C)c1c4ccc5NC(=O)COc5c4 |
| SMILES | CACTVS | 3.385 | Cn1cnc(c2cc(CNc3cccnc3)ccc2C)c1c4ccc5NC(=O)COc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1c2c(n(cn2)C)c3ccc4c(c3)OCC(=O)N4)CNc5cccnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1c2c(n(cn2)C)c3ccc4c(c3)OCC(=O)N4)CNc5cccnc5 |
