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

Systemtic Name: (1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine Openeye Name: (1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine CAS Name: (1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)-N-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]ethanamine IUPAC Name: (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ethanamine Traditional Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[4-[2-(5-pyrimidyl)ethynyl]benzyl]amine Formula: C25H23N5 MolecularWeight: 393.48362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C25H23N5/c1-19(25-17-29-30(20(25)2)24-6-4-3-5-7-24)28-16-22-11-8-21(9-12-22)10-13-23-14-26-18-27-15-23/h3-9,11-12,14-15,17-19,28H,16H2,1-2H3/t19-/m0/s1