3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[3-[2-(1-pyrazolyl)ethoxy]phenyl]propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propionamide Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCN2C=CC=N2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)OCCN2C=CC=N2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H19BrN4O4/c23-15-5-6-18-19(13-15)22(30)27(21(18)29)10-7-20(28)25-16-3-1-4-17(14-16)31-12-11-26-9-2-8-24-26/h1-6,8-9,13-14H,7,10-12H2,(H,25,28)