5-(3-imidazol-1-ylpropylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2-[(2,4,6-trimethylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-[3-(1-imidazolyl)propylamino]-2-[(2,4,6-trimethylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2-[(2,4,6-trimethylphenoxy)methyl]oxazole-4-carbonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC2=NC(=C(O2)NCCCN3C=CN=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC2=NC(=C(O2)NCCCN3C=CN=C3)C#N)C

InChI

InChI=1S/C20H23N5O2/c1-14-9-15(2)19(16(3)10-14)26-12-18-24-17(11-21)20(27-18)23-5-4-7-25-8-6-22-13-25/h6,8-10,13,23H,4-5,7,12H2,1-3H3