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

Systemtic Name: (E)-3-[(4-ethynylphenyl)amino]-2-(2-methylphenyl)carbonyl-N-propyl-prop-2-enamide Openeye Name: (E)-3-(4-ethynylanilino)-2-(2-methylbenzoyl)-N-propyl-prop-2-enamide CAS Name: (E)-3-(4-ethynylanilino)-2-[(2-methylphenyl)-oxomethyl]-N-propyl-2-propenamide IUPAC Name: (E)-3-(4-ethynylanilino)-2-(2-methylbenzoyl)-N-propylprop-2-enamide Traditional Name: (E)-3-(4-ethynylanilino)-2-o-toluoyl-N-propyl-acrylamide Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CNC1=CC=C(C=C1)C#C)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCNC(=O)/C(=C/NC1=CC=C(C=C1)C#C)/C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H22N2O2/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/h2,6-13,15,24H,4,14H2,1,3H3,(H,23,26)/b20-15+