3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-pyrazin-2-yloxyphenyl)propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(3-pyrazin-2-yloxyphenyl)propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[3-(2-pyrazinyloxy)phenyl]propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-pyrazin-2-yloxyphenyl)propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(3-pyrazin-2-yloxyphenyl)propionamide Formula: C21H15BrN4O4 MolecularWeight: 467.2722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC=CN=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC=CN=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H15BrN4O4/c22-13-4-5-16-17(10-13)21(29)26(20(16)28)9-6-18(27)25-14-2-1-3-15(11-14)30-19-12-23-7-8-24-19/h1-5,7-8,10-12H,6,9H2,(H,25,27)