1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine

Systemtic Name: 1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine Openeye Name: 1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine CAS Name: 1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]-N-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]ethanamine IUPAC Name: 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine Traditional Name: 1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl-[4-[2-(5-pyrimidyl)ethynyl]benzyl]amine Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C26H25N5O/c1-19(26-17-30-31(20(26)2)24-10-12-25(32-3)13-11-24)29-16-22-7-4-21(5-8-22)6-9-23-14-27-18-28-15-23/h4-5,7-8,10-15,17-19,29H,16H2,1-3H3