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

Systemtic Name: 5-azanyl-1-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-tert-butyl-3-veratryl-pyrazole-4-carbonitrile Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-17(2,3)21-16(19)12(10-18)13(20-21)8-11-6-7-14(22-4)15(9-11)23-5/h6-7,9H,8,19H2,1-5H3