(3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C22H24BrN3O3/c1-3-15-4-7-18(8-5-15)26-13-16(11-21(26)28)22(29)24-12-20(27)25-19-9-6-17(23)10-14(19)2/h4-10,16H,3,11-13H2,1-2H3,(H,24,29)(H,25,27)/t16-/m0/s1