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

Systemtic Name: 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide Openeye Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide CAS Name: 3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-N-[4-(3-methylphenoxy)phenyl]-2-propenamide IUPAC Name: 3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide Traditional Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-(3-methylphenoxy)phenyl]acrylamide Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C=CC3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C=CC3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O2/c1-19-7-6-10-24(17-19)33-23-13-11-22(12-14-23)29-26(32)16-15-25-20(2)30-31(27(25)28)18-21-8-4-3-5-9-21/h3-17H,18H2,1-2H3,(H,29,32)