5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenethyl-pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenethyl-pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenethylpyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenethyl-pyrazole-3-carboxamide Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H27N3O2/c1-19-9-10-22(17-20(19)2)25-18-26(27(31)28-16-15-21-7-5-4-6-8-21)30(29-25)23-11-13-24(32-3)14-12-23/h4-14,17-18H,15-16H2,1-3H3,(H,28,31)