3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-cyclopentylpyrazol-3-yl)propanamide

Systemtic Name: 3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-cyclopentylpyrazol-3-yl)propanamide Openeye Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-(2-cyclopentylpyrazol-3-yl)propanamide CAS Name: 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-cyclopentyl-3-pyrazolyl)propanamide IUPAC Name: 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-cyclopentylpyrazol-3-yl)propanamide Traditional Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-N-(2-cyclopentylpyrazol-3-yl)propionamide Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C21H28BrN5O2/c1-15-13-16(22)7-8-18(15)24-21(29)14-26(2)12-10-20(28)25-19-9-11-23-27(19)17-5-3-4-6-17/h7-9,11,13,17H,3-6,10,12,14H2,1-2H3,(H,24,29)(H,25,28)