(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-N-(1-phenylethyl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-N-(1-phenylethyl)prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-N-(1-phenylethyl)-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(1-phenylethyl)acrylamide Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC(C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC(C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O/c1-16(19-11-7-4-8-12-19)24-21(27)14-13-20-17(2)25-26(22(20)23)15-18-9-5-3-6-10-18/h3-14,16H,15H2,1-2H3,(H,24,27)/b14-13+