N-[2-[[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[2-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]anilino]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]furan-2-carboxamide Traditional Name: N-[2-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-keto-ethyl]-2-furamide Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CO3)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H24BrN3O4/c1-13-8-14(2)12-25(11-13)21(28)16-9-15(22)5-6-17(16)24-19(26)10-23-20(27)18-4-3-7-29-18/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,23,27)(H,24,26)/t13-,14+