N-(3-ethynylphenyl)-3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-ethynylphenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(3-ethynylphenyl)-3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-ethynylphenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3-ethynylphenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C#C)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)C#C)CC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O2/c1-3-19-10-7-11-22(16-19)27-26(30)24-18-29(17-20-8-5-4-6-9-20)28-25(24)21-12-14-23(31-2)15-13-21/h1,4-16,18H,17H2,2H3,(H,27,30)