[4-[(2-methoxyphenyl)carbonylamino]phenyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: [4-[(2-methoxyphenyl)carbonylamino]phenyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate Openeye Name: [4-[(2-methoxybenzoyl)amino]phenyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxylic acid [4-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-methoxybenzoyl)amino]phenyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylic acid [4-(o-anisoylamino)phenyl] ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C28H25N3O6/c1-31-17-22(26(30-31)18-8-13-24-25(16-18)36-15-5-14-35-24)28(33)37-20-11-9-19(10-12-20)29-27(32)21-6-3-4-7-23(21)34-2/h3-4,6-13,16-17H,5,14-15H2,1-2H3,(H,29,32)