3-[4-[(2-azanyl-4-bromanyl-phenyl)amino]-2-chloranyl-phenyl]carbonyl-N-(2-hydroxyethyl)-4-methyl-benzamide

Systemtic Name: 3-[4-[(2-azanyl-4-bromanyl-phenyl)amino]-2-chloranyl-phenyl]carbonyl-N-(2-hydroxyethyl)-4-methyl-benzamide Openeye Name: 3-[4-(2-amino-4-bromo-anilino)-2-chloro-benzoyl]-N-(2-hydroxyethyl)-4-methyl-benzamide CAS Name: 3-[[4-(2-amino-4-bromoanilino)-2-chlorophenyl]-oxomethyl]-N-(2-hydroxyethyl)-4-methylbenzamide IUPAC Name: 3-[4-(2-amino-4-bromoanilino)-2-chlorobenzoyl]-N-(2-hydroxyethyl)-4-methylbenzamide Traditional Name: 3-[4-(2-amino-4-bromo-anilino)-2-chloro-benzoyl]-N-(2-hydroxyethyl)-4-methyl-benzamide Formula: C23H21BrClN3O3 MolecularWeight: 502.78814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCO)C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCO)C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)N)Cl

InChI

InChI=1S/C23H21BrClN3O3/c1-13-2-3-14(23(31)27-8-9-29)10-18(13)22(30)17-6-5-16(12-19(17)25)28-21-7-4-15(24)11-20(21)26/h2-7,10-12,28-29H,8-9,26H2,1H3,(H,27,31)