N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC2CC3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC[C@H]2CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H22BrN3O3/c1-13-10-16(22)7-8-17(13)24-20(27)12-23-19(26)9-6-15-11-14-4-2-3-5-18(14)25-21(15)28/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t15-/m0/s1