4-[3-[2,5-dimethyl-4-(1,2-oxazolidin-2-ylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[2,5-dimethyl-4-(1,2-oxazolidin-2-ylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-(isoxazolidine-2-carbonyl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-[2-isoxazolidinyl(oxo)methyl]-2,5-dimethylphenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[2,5-dimethyl-4-(1,2-oxazolidine-2-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[4-(isoxazolidine-2-carbonyl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzamidine Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C(=O)N3CCCO3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C(=O)N3CCCO3

InChI

InChI=1S/C22H24N4O2/c1-15-14-20(22(27)26-11-4-12-28-26)16(2)13-18(15)5-3-10-25-19-8-6-17(7-9-19)21(23)24/h6-9,13-14,25H,4,10-12H2,1-2H3,(H3,23,24)