3-(3,4-dimethoxyphenyl)-1-phenyl-N-prop-2-ynyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-prop-2-ynyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-prop-2-ynyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-prop-2-ynyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-prop-2-ynylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-propargyl-pyrazole-4-carboxamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC#C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC#C)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H19N3O3/c1-4-12-22-21(25)17-14-24(16-8-6-5-7-9-16)23-20(17)15-10-11-18(26-2)19(13-15)27-3/h1,5-11,13-14H,12H2,2-3H3,(H,22,25)