N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-iodo-1H-pyrazole-5-carboxamide Formula: C14H11ClIN5O MolecularWeight: 427.62751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=C(C=NN3)I)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=C(C=NN3)I)Cl

InChI

InChI=1S/C14H11ClIN5O/c15-10-8-21(7-9-4-2-1-3-5-9)20-13(10)18-14(22)12-11(16)6-17-19-12/h1-6,8H,7H2,(H,17,19)(H,18,20,22)