5-bromanyl-N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[4-(4-isopropylbenzyl)piperazino]-2-keto-ethyl]-2-furamide Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H26BrN3O3/c1-15(2)17-5-3-16(4-6-17)14-24-9-11-25(12-10-24)20(26)13-23-21(27)18-7-8-19(22)28-18/h3-8,15H,9-14H2,1-2H3,(H,23,27)