N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]pentanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorobenzyl)carbamoylamino]valeramide Formula: C21H23BrFN3O4 MolecularWeight: 480.327423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC2=C(C=C1Br)OCCO2)NC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C(=O)NC1=CC2=C(C=C1Br)OCCO2)NC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23BrFN3O4/c1-2-3-16(26-21(28)24-12-13-4-6-14(23)7-5-13)20(27)25-17-11-19-18(10-15(17)22)29-8-9-30-19/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,25,27)(H2,24,26,28)