5-azanyl-1-tert-butyl-3-[(3-iodanylphenyl)methyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-tert-butyl-3-[(3-iodanylphenyl)methyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-tert-butyl-3-[(3-iodophenyl)methyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-tert-butyl-3-[(3-iodophenyl)methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-tert-butyl-3-[(3-iodophenyl)methyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-tert-butyl-3-(3-iodobenzyl)pyrazole-4-carbonitrile Formula: C15H17IN4 MolecularWeight: 380.22675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)CC2=CC(=CC=C2)I)C#N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)CC2=CC(=CC=C2)I)C#N)N

InChI

InChI=1S/C15H17IN4/c1-15(2,3)20-14(18)12(9-17)13(19-20)8-10-5-4-6-11(16)7-10/h4-7H,8,18H2,1-3H3