2-[3-[2,5-dimethyl-4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 2-[3-[2,5-dimethyl-4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 2-[3-[2,5-dimethyl-4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 2-[3-[2,5-dimethyl-4-(2-methyl-1-oxopropyl)phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 2-[3-[2,5-dimethyl-4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 2-[3-(4-isobutyryl-2,5-dimethyl-phenyl)prop-2-ynylamino]benzamidine Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=CC=C2C(=N)N)C)C(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=CC=C2C(=N)N)C)C(=O)C(C)C

InChI

InChI=1S/C22H25N3O/c1-14(2)21(26)19-13-15(3)17(12-16(19)4)8-7-11-25-20-10-6-5-9-18(20)22(23)24/h5-6,9-10,12-14,25H,11H2,1-4H3,(H3,23,24)