ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H21N3O5/c1-3-28-22(27)18-13-23-25(14(18)2)17-7-4-15(5-8-17)21(26)24-16-6-9-19-20(12-16)30-11-10-29-19/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,26)