methyl 2-[(2S)-1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H20BrN3O4 MolecularWeight: 398.2517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCNC(=O)C2CC(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OC)Br

InChI

InChI=1S/C16H20BrN3O4/c1-10-3-4-12(11(17)7-10)19-14(21)9-20-6-5-18-16(23)13(20)8-15(22)24-2/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,23)(H,19,21)/t13-/m0/s1