N-(4-phenoxyphenyl)-4-phenyl-5-(4-prop-2-ynoxyphenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: N-(4-phenoxyphenyl)-4-phenyl-5-(4-prop-2-ynoxyphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: N-(4-phenoxyphenyl)-4-phenyl-5-(4-prop-2-ynoxyphenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: N-(4-phenoxyphenyl)-4-phenyl-5-(4-prop-2-ynoxyphenyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: N-(4-phenoxyphenyl)-4-phenyl-5-(4-prop-2-ynoxyphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: N-(4-phenoxyphenyl)-4-phenyl-3-(4-propargyloxyphenyl)-2-pyrazoline-1-carboxamide Formula: C31H25N3O3 MolecularWeight: 487.5485

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2=NN(CC2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C2=NN(CC2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O3/c1-2-21-36-26-17-13-24(14-18-26)30-29(23-9-5-3-6-10-23)22-34(33-30)31(35)32-25-15-19-28(20-16-25)37-27-11-7-4-8-12-27/h1,3-20,29H,21-22H2,(H,32,35)