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

Systemtic Name: 2-[3-[3-methyl-4-(phenylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 2-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynylamino]benzamidine CAS Name: 2-[3-(4-benzoyl-3-methylphenyl)prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 2-[3-(4-benzoyl-3-methylphenyl)prop-2-ynylamino]benzenecarboximidamide Traditional Name: 2-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynylamino]benzamidine Formula: C24H21N3O MolecularWeight: 367.44304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C(=N)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C(=N)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H21N3O/c1-17-16-18(13-14-20(17)23(28)19-9-3-2-4-10-19)8-7-15-27-22-12-6-5-11-21(22)24(25)26/h2-6,9-14,16,27H,15H2,1H3,(H3,25,26)