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

Systemtic Name: 3-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide Openeye Name: 3-[benzyl-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl]amino]benzamidine CAS Name: 3-[3-[3-methyl-4-(2-methyl-1-oxopropyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide IUPAC Name: 3-[benzyl-[3-[3-methyl-4-(2-methylpropanoyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide Traditional Name: 3-[benzyl-[3-(4-isobutyryl-3-methyl-phenyl)prop-2-ynyl]amino]benzamidine Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)C(C)C

InChI

InChI=1S/C28H29N3O/c1-20(2)27(32)26-15-14-22(17-21(26)3)11-8-16-31(19-23-9-5-4-6-10-23)25-13-7-12-24(18-25)28(29)30/h4-7,9-10,12-15,17-18,20H,16,19H2,1-3H3,(H3,29,30)