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

Systemtic Name: 3-iodanyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]aniline Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-3-iodo-aniline CAS Name: 3-iodo-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]aniline IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-3-iodoaniline Traditional Name: (1-benzylpyrazol-4-yl)methyl-(3-iodophenyl)amine Formula: C17H16IN3 MolecularWeight: 389.23351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)CNC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)CNC3=CC(=CC=C3)I

InChI

InChI=1S/C17H16IN3/c18-16-7-4-8-17(9-16)19-10-15-11-20-21(13-15)12-14-5-2-1-3-6-14/h1-9,11,13,19H,10,12H2