ethyl (1E)-N-[4-cyano-2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[4-cyano-2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]methanimidate Openeye Name: ethyl (1E)-N-[2-[(4-benzyloxyphenyl)methyl]-4-cyano-pyrazol-3-yl]methanimidate CAS Name: (1E)-N-[4-cyano-2-[(4-phenylmethoxyphenyl)methyl]-3-pyrazolyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[4-cyano-2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]methanimidate Traditional Name: (1E)-N-[2-(4-benzoxybenzyl)-4-cyano-pyrazol-3-yl]formimidic acid ethyl ester Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C=NN1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCO/C=N/C1=C(C=NN1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4O2/c1-2-26-16-23-21-19(12-22)13-24-25(21)14-17-8-10-20(11-9-17)27-15-18-6-4-3-5-7-18/h3-11,13,16H,2,14-15H2,1H3/b23-16+