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

Systemtic Name: 2-chloranyl-4-iodanyl-N-[(1-phenylpyrazol-4-yl)methyl]aniline Openeye Name: 2-chloro-4-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline CAS Name: 2-chloro-4-iodo-N-[(1-phenyl-4-pyrazolyl)methyl]aniline IUPAC Name: 2-chloro-4-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline Traditional Name: (2-chloro-4-iodo-phenyl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C16H13ClIN3 MolecularWeight: 409.65199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClIN3/c17-15-8-13(18)6-7-16(15)19-9-12-10-20-21(11-12)14-4-2-1-3-5-14/h1-8,10-11,19H,9H2