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

Systemtic Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxidanylidene-but-2-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-methyl-prop-1-enyl]-3-bromo-benzamide CAS Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobut-2-en-2-yl]-3-bromobenzamide IUPAC Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobut-2-en-2-yl]-3-bromobenzamide Traditional Name: N-[1-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-methyl-prop-1-enyl]-3-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=C3)Br)C

Isomeric SMILES

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

InChI

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