N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxidanylidene-but-2-en-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxidanylidene-but-2-en-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-methyl-prop-1-enyl]-2-bromo-benzamide CAS Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobut-2-en-2-yl]-2-bromobenzamide IUPAC Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobut-2-en-2-yl]-2-bromobenzamide Traditional Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-methyl-prop-1-enyl]-2-bromo-benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NCCC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC(=C(C(=O)NCCC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C21H21BrN4O2/c1-13(2)19(26-20(27)14-7-3-4-8-15(14)22)21(28)23-12-11-18-24-16-9-5-6-10-17(16)25-18/h3-10H,11-12H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)