2-azanyl-N'-[3-[4-(2,2-dimethylpropanoyl)-2,5-dimethyl-phenyl]prop-2-ynyl]benzenecarboximidamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCN=C(C2=CC=CC=C2N)N)C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#CCN=C(C2=CC=CC=C2N)N)C)C(=O)C(C)(C)C

InChI

InChI=1S/C23H27N3O/c1-15-14-19(21(27)23(3,4)5)16(2)13-17(15)9-8-12-26-22(25)18-10-6-7-11-20(18)24/h6-7,10-11,13-14H,12,24H2,1-5H3,(H2,25,26)