4-iodanyl-1-methyl-N-[(E)-3-phenylpropylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-1-methyl-N-[(E)-3-phenylpropylideneamino]pyrazole-3-carboxamide Openeye Name: 4-iodo-1-methyl-N-[(E)-3-phenylpropylideneamino]pyrazole-3-carboxamide CAS Name: 4-iodo-1-methyl-N-[(E)-3-phenylpropylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-1-methyl-N-[(E)-3-phenylpropylideneamino]pyrazole-3-carboxamide Traditional Name: 4-iodo-1-methyl-N-[(E)-3-phenylpropylideneamino]pyrazole-3-carboxamide Formula: C14H15IN4O MolecularWeight: 382.19957

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CCCC2=CC=CC=C2)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/CCC2=CC=CC=C2)I

InChI

InChI=1S/C14H15IN4O/c1-19-10-12(15)13(18-19)14(20)17-16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9-10H,5,8H2,1H3,(H,17,20)/b16-9+