3-ethynyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Openeye Name: 3-ethynyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline CAS Name: 3-ethynyl-N-[(1-phenyl-4-pyrazolyl)methyl]aniline IUPAC Name: 3-ethynyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Traditional Name: (3-ethynylphenyl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C18H15N3 MolecularWeight: 273.3318

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3/c1-2-15-7-6-8-17(11-15)19-12-16-13-20-21(14-16)18-9-4-3-5-10-18/h1,3-11,13-14,19H,12H2