3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(4-bromanylpyrazol-1-yl)propyl]benzamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(4-bromanylpyrazol-1-yl)propyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-(1,3-dioxoisoindolin-2-yl)benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-(1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-(1,3-dioxoisoindol-2-yl)benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-phthalimido-benzamide Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCCCN4C=C(C=N4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NCCCN4C=C(C=N4)Br

InChI

InChI=1S/C21H17BrN4O3/c22-15-12-24-25(13-15)10-4-9-23-19(27)14-5-3-6-16(11-14)26-20(28)17-7-1-2-8-18(17)21(26)29/h1-3,5-8,11-13H,4,9-10H2,(H,23,27)