N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]dodecanamide

Systemtic Name: N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]dodecanamide Openeye Name: N-[(E)-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]dodecanamide CAS Name: N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylideneamino]dodecanamide IUPAC Name: N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]dodecanamide Traditional Name: N-[(E)-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]lauramide Formula: C35H42N4O2 MolecularWeight: 550.73358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NN=CC1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCC(=O)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C35H42N4O2/c1-2-3-4-5-6-7-8-9-16-21-34(40)37-36-26-31-27-39(32-19-14-11-15-20-32)38-35(31)30-22-24-33(25-23-30)41-28-29-17-12-10-13-18-29/h10-15,17-20,22-27H,2-9,16,21,28H2,1H3,(H,37,40)/b36-26+