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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]pentanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-fluorobenzyl)carbamoylamino]valeramide Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1=CC2=C(C=C1)OCCO2)NC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C(=O)NCC1=CC2=C(C=C1)OCCO2)NC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4/c1-2-3-18(26-22(28)25-13-15-4-7-17(23)8-5-15)21(27)24-14-16-6-9-19-20(12-16)30-11-10-29-19/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H,24,27)(H2,25,26,28)