N-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-benzamide

Systemtic Name: N-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-benzamide Openeye Name: N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-benzamide CAS Name: N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylbenzamide IUPAC Name: N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzamide Traditional Name: N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-4-(3-pyrroline-1-carbonyl)benzamide Formula: C20H18BrN5O2 MolecularWeight: 440.29322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=NC3=NC=C(C=C3N2)Br)C(=O)N4CC=CC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=NC3=NC=C(C=C3N2)Br)C(=O)N4CC=CC4

InChI

InChI=1S/C20H18BrN5O2/c1-12-8-13(4-5-15(12)20(28)26-6-2-3-7-26)19(27)23-11-17-24-16-9-14(21)10-22-18(16)25-17/h2-5,8-10H,6-7,11H2,1H3,(H,23,27)(H,22,24,25)