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

Systemtic Name: 3-iodanyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Openeye Name: 3-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline CAS Name: 3-iodo-N-[(1-phenyl-4-pyrazolyl)methyl]aniline IUPAC Name: 3-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline Traditional Name: (3-iodophenyl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C16H14IN3 MolecularWeight: 375.20693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC3=CC(=CC=C3)I

InChI

InChI=1S/C16H14IN3/c17-14-5-4-6-15(9-14)18-10-13-11-19-20(12-13)16-7-2-1-3-8-16/h1-9,11-12,18H,10H2