(E)-3-[(4-ethynylphenyl)amino]-2-(2-methylphenyl)carbonyl-N-prop-2-ynyl-prop-2-enamide

Systemtic Name: (E)-3-[(4-ethynylphenyl)amino]-2-(2-methylphenyl)carbonyl-N-prop-2-ynyl-prop-2-enamide Openeye Name: (E)-3-(4-ethynylanilino)-2-(2-methylbenzoyl)-N-prop-2-ynyl-prop-2-enamide CAS Name: (E)-3-(4-ethynylanilino)-2-[(2-methylphenyl)-oxomethyl]-N-prop-2-ynyl-2-propenamide IUPAC Name: (E)-3-(4-ethynylanilino)-2-(2-methylbenzoyl)-N-prop-2-ynylprop-2-enamide Traditional Name: (E)-3-(4-ethynylanilino)-2-o-toluoyl-N-propargyl-acrylamide Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CNC2=CC=C(C=C2)C#C)C(=O)NCC#C

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C\NC2=CC=C(C=C2)C#C)/C(=O)NCC#C

InChI

InChI=1S/C22H18N2O2/c1-4-14-23-22(26)20(21(25)19-9-7-6-8-16(19)3)15-24-18-12-10-17(5-2)11-13-18/h1-2,6-13,15,24H,14H2,3H3,(H,23,26)/b20-15+