tert-butyl N-[(3-cyanophenyl)methyl]-N-(1-phenylpyrazol-4-yl)carbamate

Systemtic Name: tert-butyl N-[(3-cyanophenyl)methyl]-N-(1-phenylpyrazol-4-yl)carbamate Openeye Name: tert-butyl N-[(3-cyanophenyl)methyl]-N-(1-phenylpyrazol-4-yl)carbamate CAS Name: N-[(3-cyanophenyl)methyl]-N-(1-phenyl-4-pyrazolyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-cyanophenyl)methyl]-N-(1-phenylpyrazol-4-yl)carbamate Traditional Name: N-(3-cyanobenzyl)-N-(1-phenylpyrazol-4-yl)carbamic acid tert-butyl ester Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC(=C1)C#N)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC(=C1)C#N)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2/c1-22(2,3)28-21(27)25(15-18-9-7-8-17(12-18)13-23)20-14-24-26(16-20)19-10-5-4-6-11-19/h4-12,14,16H,15H2,1-3H3