(E)-3-(4-tert-butylphenyl)-N-[4-chloranyl-3-(methylcarbamoylamino)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-tert-butylphenyl)-N-[4-chloranyl-3-(methylcarbamoylamino)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-tert-butylphenyl)-N-[4-chloro-3-(methylcarbamoylamino)phenyl]prop-2-enamide CAS Name: (E)-3-(4-tert-butylphenyl)-N-[4-chloro-3-(methylcarbamoylamino)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-[4-chloro-3-(methylcarbamoylamino)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-tert-butylphenyl)-N-[4-chloro-3-(methylcarbamoylamino)phenyl]acrylamide Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)NC

InChI

InChI=1S/C21H24ClN3O2/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(26)24-16-10-11-17(22)18(13-16)25-20(27)23-4/h5-13H,1-4H3,(H,24,26)(H2,23,25,27)/b12-7+