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

Systemtic Name: 4-[3-[4-(2,2-dimethylpropanoyl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-(2,2-dimethylpropanoyl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-(2,2-dimethyl-1-oxopropyl)-2,5-dimethylphenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[4-(2,2-dimethylpropanoyl)-2,5-dimethylphenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-(2,5-dimethyl-4-pivaloyl-phenyl)prop-2-ynylamino]benzamidine Formula: C23H27N3O MolecularWeight: 361.47998

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O/c1-15-14-20(21(27)23(3,4)5)16(2)13-18(15)7-6-12-26-19-10-8-17(9-11-19)22(24)25/h8-11,13-14,26H,12H2,1-5H3,(H3,24,25)