N-[3-[2-[6-(aminomethyl)pyridin-3-yl]ethynyl]-4-methyl-phenyl]-4-(4-cyanoimidazol-1-yl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[2-[6-(aminomethyl)pyridin-3-yl]ethynyl]-4-methyl-phenyl]-4-(4-cyanoimidazol-1-yl)-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[2-[6-(aminomethyl)-3-pyridyl]ethynyl]-4-methyl-phenyl]-4-(4-cyanoimidazol-1-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[3-[2-[6-(aminomethyl)-3-pyridinyl]ethynyl]-4-methylphenyl]-4-(4-cyano-1-imidazolyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[2-[6-(aminomethyl)pyridin-3-yl]ethynyl]-4-methylphenyl]-4-(4-cyanoimidazol-1-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-[6-(aminomethyl)-3-pyridyl]ethynyl]-4-methyl-phenyl]-4-(4-cyanoimidazol-1-yl)-3-(trifluoromethyl)benzamide Formula: C27H19F3N6O MolecularWeight: 500.47457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=C(N=C3)C#N)C(F)(F)F)C#CC4=CN=C(C=C4)CN

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=C(N=C3)C#N)C(F)(F)F)C#CC4=CN=C(C=C4)CN

InChI

InChI=1S/C27H19F3N6O/c1-17-2-7-21(10-19(17)5-3-18-4-8-22(12-31)33-14-18)35-26(37)20-6-9-25(24(11-20)27(28,29)30)36-15-23(13-32)34-16-36/h2,4,6-11,14-16H,12,31H2,1H3,(H,35,37)