4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-N,N-dimethyl-benzamide Openeye Name: 4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(2-prop-2-ynoxyphenyl)prop-2-enyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[(E)-2-cyano-3-(2-propargyloxyphenyl)acryloyl]amino]-N,N-dimethyl-benzamide Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC#C)C#N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N

InChI

InChI=1S/C22H19N3O3/c1-4-13-28-20-8-6-5-7-17(20)14-18(15-23)21(26)24-19-11-9-16(10-12-19)22(27)25(2)3/h1,5-12,14H,13H2,2-3H3,(H,24,26)/b18-14+