ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C29H22N4O5 MolecularWeight: 506.50878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H22N4O5/c1-2-36-29(35)22-16-30-33(19-8-4-3-5-9-19)27(22)32-28(34)21-15-24(31-23-11-7-6-10-20(21)23)18-12-13-25-26(14-18)38-17-37-25/h3-16H,2,17H2,1H3,(H,32,34)