6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethyl-quinoxaline hydrate

Systemtic Name: 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethyl-quinoxaline hydrate Openeye Name: 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethyl-quinoxaline hydrate CAS Name: 6-[1-imidazolyl(phenyl)methyl]-2,3-dimethylquinoxaline hydrate IUPAC Name: 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline hydrate Traditional Name: 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethyl-quinoxaline hydrate Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4)N=C1C.O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4)N=C1C.O

InChI

InChI=1S/C20H18N4.H2O/c1-14-15(2)23-19-12-17(8-9-18(19)22-14)20(24-11-10-21-13-24)16-6-4-3-5-7-16;/h3-13,20H,1-2H3;1H2