ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[(piperonylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O5/c1-3-32-25(31)18-13-27-29(20-11-24(30)28(2)19-7-5-4-6-17(19)20)21(18)14-26-12-16-8-9-22-23(10-16)34-15-33-22/h4-11,13,26H,3,12,14-15H2,1-2H3