N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(furan-3-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(furan-3-ylcarbonyl)piperidine-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[3-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(3-furoyl)nipecotamide Formula: C20H22BrN3O4 MolecularWeight: 448.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)C(=O)C3=COC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)C(=O)C3=COC=C3

InChI

InChI=1S/C20H22BrN3O4/c1-13-9-16(21)4-5-17(13)23-18(25)10-22-19(26)14-3-2-7-24(11-14)20(27)15-6-8-28-12-15/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3,(H,22,26)(H,23,25)