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

Systemtic Name: 3-[3-[3-methyl-4-(phenylcarbonyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide Openeye Name: 3-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynyl-benzyl-amino]benzamidine CAS Name: 3-[3-(4-benzoyl-3-methylphenyl)prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide IUPAC Name: 3-[3-(4-benzoyl-3-methylphenyl)prop-2-ynyl-benzylamino]benzenecarboximidamide Traditional Name: 3-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynyl-benzyl-amino]benzamidine Formula: C31H27N3O MolecularWeight: 457.56558

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H27N3O/c1-23-20-24(17-18-29(23)30(35)26-13-6-3-7-14-26)12-9-19-34(22-25-10-4-2-5-11-25)28-16-8-15-27(21-28)31(32)33/h2-8,10-11,13-18,20-21H,19,22H2,1H3,(H3,32,33)