2-chloranyl-4-[[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino]-N,N-diethyl-benzamide

Systemtic Name: 2-chloranyl-4-[[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino]-N,N-diethyl-benzamide Openeye Name: 2-chloro-4-[[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]amino]-N,N-diethyl-benzamide CAS Name: 2-chloro-4-[[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-N,N-diethylbenzamide IUPAC Name: 2-chloro-4-[[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino]-N,N-diethylbenzamide Traditional Name: 2-chloro-4-[[(E)-2-cyano-3-(p-tolyl)acryloyl]amino]-N,N-diethyl-benzamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C)C#N)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-4-26(5-2)22(28)19-11-10-18(13-20(19)23)25-21(27)17(14-24)12-16-8-6-15(3)7-9-16/h6-13H,4-5H2,1-3H3,(H,25,27)/b17-12+