N-[2-[2-methyl-5-phenyl-3-(5-phenylpent-1-ynyl)-1H-pyrazol-5-yl]ethynyl]aniline

Systemtic Name: N-[2-[2-methyl-5-phenyl-3-(5-phenylpent-1-ynyl)-1H-pyrazol-5-yl]ethynyl]aniline Openeye Name: N-[2-[2-methyl-5-phenyl-3-(5-phenylpent-1-ynyl)-1H-pyrazol-5-yl]ethynyl]aniline CAS Name: N-[2-[2-methyl-5-phenyl-3-(5-phenylpent-1-ynyl)-1H-pyrazol-5-yl]ethynyl]aniline IUPAC Name: N-[2-[2-methyl-5-phenyl-3-(5-phenylpent-1-ynyl)-1H-pyrazol-5-yl]ethynyl]aniline Traditional Name: 2-[1-methyl-3-phenyl-5-(5-phenylpent-1-ynyl)-3-pyrazolin-3-yl]ethynyl-phenyl-amine Formula: C29H27N3 MolecularWeight: 417.54478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(N1)(C#CNC2=CC=CC=C2)C3=CC=CC=C3)C#CCCCC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(N1)(C#CNC2=CC=CC=C2)C3=CC=CC=C3)C#CCCCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3/c1-32-28(21-13-3-8-16-25-14-6-2-7-15-25)24-29(31-32,26-17-9-4-10-18-26)22-23-30-27-19-11-5-12-20-27/h2,4-7,9-12,14-15,17-20,24,30-31H,3,8,16H2,1H3