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

Systemtic Name: 3-ethynyl-N-[(1-methylpyrazol-4-yl)methyl]aniline Openeye Name: 3-ethynyl-N-[(1-methylpyrazol-4-yl)methyl]aniline CAS Name: 3-ethynyl-N-[(1-methyl-4-pyrazolyl)methyl]aniline IUPAC Name: 3-ethynyl-N-[(1-methylpyrazol-4-yl)methyl]aniline Traditional Name: (3-ethynylphenyl)-[(1-methylpyrazol-4-yl)methyl]amine Formula: C13H13N3 MolecularWeight: 211.26242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC=CC(=C2)C#C

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC=CC(=C2)C#C

InChI

InChI=1S/C13H13N3/c1-3-11-5-4-6-13(7-11)14-8-12-9-15-16(2)10-12/h1,4-7,9-10,14H,8H2,2H3