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

Systemtic Name: (3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H22BrN3O3/c1-13-3-6-17(7-4-13)25-12-15(10-20(25)27)21(28)23-11-19(26)24-18-8-5-16(22)9-14(18)2/h3-9,15H,10-12H2,1-2H3,(H,23,28)(H,24,26)/t15-/m0/s1