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

Systemtic Name: 3-[3-[3-methyl-4-(phenylcarbonyl)phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 3-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynyl-benzyl-amino]benzonitrile CAS Name: 3-[3-(4-benzoyl-3-methylphenyl)prop-2-ynyl-(phenylmethyl)amino]benzonitrile IUPAC Name: 3-[3-(4-benzoyl-3-methylphenyl)prop-2-ynyl-benzylamino]benzonitrile Traditional Name: 3-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynyl-benzyl-amino]benzonitrile Formula: C31H24N2O MolecularWeight: 440.53506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H24N2O/c1-24-20-25(17-18-30(24)31(34)28-14-6-3-7-15-28)13-9-19-33(23-26-10-4-2-5-11-26)29-16-8-12-27(21-29)22-32/h2-8,10-12,14-18,20-21H,19,23H2,1H3