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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(3-fluoroanilino)-oxomethyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarboxamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN3O4/c22-14-5-4-6-15(11-14)24-20(27)25-21(9-2-1-3-10-21)19(26)23-16-7-8-17-18(12-16)29-13-28-17/h4-8,11-12H,1-3,9-10,13H2,(H,23,26)(H2,24,25,27)