3-ethynyl-N-[(4-imidazol-1-ylphenyl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(4-imidazol-1-ylphenyl)methyl]aniline Openeye Name: 3-ethynyl-N-[(4-imidazol-1-ylphenyl)methyl]aniline CAS Name: 3-ethynyl-N-[[4-(1-imidazolyl)phenyl]methyl]aniline IUPAC Name: 3-ethynyl-N-[(4-imidazol-1-ylphenyl)methyl]aniline Traditional Name: (3-ethynylphenyl)-(4-imidazol-1-ylbenzyl)amine Formula: C18H15N3 MolecularWeight: 273.3318

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC=C(C=C2)N3C=CN=C3

InChI

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