2-[(4-bromanyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)-N-(2-pyridin-4-ylethyl)benzamide

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)amino]-3,4-bis(fluoranyl)-N-(2-pyridin-4-ylethyl)benzamide Openeye Name: 2-(4-bromo-2-methyl-anilino)-3,4-difluoro-N-[2-(4-pyridyl)ethyl]benzamide CAS Name: 2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(2-pyridin-4-ylethyl)benzamide IUPAC Name: 2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(2-pyridin-4-ylethyl)benzamide Traditional Name: 2-(4-bromo-2-methyl-anilino)-3,4-difluoro-N-[2-(4-pyridyl)ethyl]benzamide Formula: C21H18BrF2N3O MolecularWeight: 446.287926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C=CC(=C2F)F)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C=CC(=C2F)F)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C21H18BrF2N3O/c1-13-12-15(22)2-5-18(13)27-20-16(3-4-17(23)19(20)24)21(28)26-11-8-14-6-9-25-10-7-14/h2-7,9-10,12,27H,8,11H2,1H3,(H,26,28)