N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-(2-phenylethynyl)benzamide CAS Name: N-[2-[(2,4-dimethoxyphenyl)methyl]-3-pyrazolyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[2-(2,4-dimethoxybenzyl)pyrazol-3-yl]-4-(2-phenylethynyl)benzamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H23N3O3/c1-32-24-15-14-23(25(18-24)33-2)19-30-26(16-17-28-30)29-27(31)22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-18H,19H2,1-2H3,(H,29,31)