1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-butyl-urea

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-butyl-urea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-butyl-urea CAS Name: 1-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-butylurea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-butylurea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-butyl-urea Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4/c1-2-3-10-23-22(28)26-25-21(27)16-12-18(24-17-7-5-4-6-15(16)17)14-8-9-19-20(11-14)30-13-29-19/h4-9,11-12H,2-3,10,13H2,1H3,(H,25,27)(H2,23,26,28)