N-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-3-keto-propyl]-2-methyl-benzamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NCCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NCCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H25BrN2O4/c1-14-6-4-5-7-16(14)21(26)24-11-9-20(25)23-10-8-15-12-18(27-2)19(28-3)13-17(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,23,25)(H,24,26)