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

Systemtic Name: 2-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 2-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 2-[3-[4-(2-methyl-1-oxopropyl)phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 2-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 2-[3-(4-isobutyrylphenyl)prop-2-ynylamino]benzamidine Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=C(C=C1)C#CCNC2=CC=CC=C2C(=N)N

Isomeric SMILES

CC(C)C(=O)C1=CC=C(C=C1)C#CCNC2=CC=CC=C2C(=N)N

InChI

InChI=1S/C20H21N3O/c1-14(2)19(24)16-11-9-15(10-12-16)6-5-13-23-18-8-4-3-7-17(18)20(21)22/h3-4,7-12,14,23H,13H2,1-2H3,(H3,21,22)