(2S)-2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2S)-2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-N-cyclopropyl-2-phenyl-acetamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H24BrN3O2/c1-14-12-16(22)8-11-18(14)24-19(26)13-25(2)20(15-6-4-3-5-7-15)21(27)23-17-9-10-17/h3-8,11-12,17,20H,9-10,13H2,1-2H3,(H,23,27)(H,24,26)/t20-/m0/s1