2-[3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]propanoylamino]-N-cyclopropyl-benzamide CAS Name: 2-[[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-oxopropyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanoylamino]-N-cyclopropylbenzamide Traditional Name: 2-[3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]propanoylamino]-N-cyclopropyl-benzamide Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C23H27BrN4O3/c1-15-13-16(24)7-10-19(15)26-22(30)14-28(2)12-11-21(29)27-20-6-4-3-5-18(20)23(31)25-17-8-9-17/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,25,31)(H,26,30)(H,27,29)