3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-prop-2-ynyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-prop-2-ynyl-pyrazole-4-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-prop-2-ynyl-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-prop-2-ynyl-4-pyrazolecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-prop-2-ynylpyrazole-4-carboxamide Traditional Name: 3-(3-methoxyphenyl)-N-propargyl-1-(p-tolyl)pyrazole-4-carboxamide Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC#C

InChI

InChI=1S/C21H19N3O2/c1-4-12-22-21(25)19-14-24(17-10-8-15(2)9-11-17)23-20(19)16-6-5-7-18(13-16)26-3/h1,5-11,13-14H,12H2,2-3H3,(H,22,25)