2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]propanamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propionamide Formula: C23H22N4O2 MolecularWeight: 386.44638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)N3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)N3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N4O2/c1-16-20-10-6-7-11-21(20)23(29)27(16)17(2)22(28)24-13-12-18-14-25-26(15-18)19-8-4-3-5-9-19/h3-11,14-15,17H,1,12-13H2,2H3,(H,24,28)