N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[[(3-fluoroanilino)-oxomethyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxamide Traditional Name: 1-[(3-fluorophenyl)carbamoylamino]-N-piperonyl-cyclohexanecarboxamide Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3O4/c23-16-5-4-6-17(12-16)25-21(28)26-22(9-2-1-3-10-22)20(27)24-13-15-7-8-18-19(11-15)30-14-29-18/h4-8,11-12H,1-3,9-10,13-14H2,(H,24,27)(H2,25,26,28)