5-azanyl-1-tert-butyl-3-(phenylmethoxymethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-tert-butyl-3-(phenylmethoxymethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(benzyloxymethyl)-1-tert-butyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-tert-butyl-3-(phenylmethoxymethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-tert-butyl-3-(phenylmethoxymethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(benzoxymethyl)-1-tert-butyl-pyrazole-4-carbonitrile Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)COCC2=CC=CC=C2)C#N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)COCC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C16H20N4O/c1-16(2,3)20-15(18)13(9-17)14(19-20)11-21-10-12-7-5-4-6-8-12/h4-8H,10-11,18H2,1-3H3