S1Q
Summary
Name: | (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one |
Formula: | C19 H17 N3 O3 |
Formal charge: | 0 |
Formula weight: | 335.357 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O3/c1-22-18(6-3-13-7-9-20-10-8-13)21-16(19(22)24)11-14-4-5-15(23)12-17(14)25-2/h3-12,23H,1-2H3/b6-3+,16-11- |
InChIKey | InChI | 1.03 | RULMUNSYCBDHEN-KCFSPJGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)ccc1\C=C2/N=C(/C=C/c3ccncc3)N(C)C2=O |
SMILES | CACTVS | 3.385 | COc1cc(O)ccc1C=C2N=C(C=Cc3ccncc3)N(C)C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=NC(=Cc2ccc(cc2OC)O)C1=O)C=Cc3ccncc3 |