3-[[1-(2-cyanoethyl)-3-methyl-5-phenyl-pyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide

Systemtic Name: 3-[[1-(2-cyanoethyl)-3-methyl-5-phenyl-pyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide Openeye Name: 3-[[1-(2-cyanoethyl)-3-methyl-5-phenyl-pyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide CAS Name: 3-[[1-(2-cyanoethyl)-3-methyl-5-phenyl-4-pyrazolyl]methyl]-N-(3-methoxyphenyl)benzamide IUPAC Name: 3-[[1-(2-cyanoethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide Traditional Name: 3-[[1-(2-cyanoethyl)-3-methyl-5-phenyl-pyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4)CCC#N

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C28H26N4O2/c1-20-26(27(22-10-4-3-5-11-22)32(31-20)16-8-15-29)18-21-9-6-12-23(17-21)28(33)30-24-13-7-14-25(19-24)34-2/h3-7,9-14,17,19H,8,16,18H2,1-2H3,(H,30,33)