N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C21H18IN5O MolecularWeight: 483.30499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)I

InChI

InChI=1S/C21H18IN5O/c1-26-14-18(22)20(24-26)21(28)23-12-16-13-27(17-10-6-3-7-11-17)25-19(16)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,28)