3-[methyl-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)C(C)C

InChI

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