2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]propanamide CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]propionamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C)C(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C)C(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25BrN4O3/c1-14-11-17(22)9-10-18(14)24-19(27)13-26(3)15(2)20(28)25-21(29)23-12-16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,24,27)(H2,23,25,28,29)